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-154.56
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int64
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int64
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743
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C-9603-8567-11
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43197000 _cell_length_b 3.93315000 _cell_length_c 6.30106000 _cell_angle_alpha 108.28463000 _cell_angle_beta 90.47968000 _cell_angle_gamma 90.73185000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.21888405 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.42097979 0.12561263 0.86846110 1 C C1 1 0.42104524 0.46307399 0.53698242 1 C C2 1 0.42102930 -0.03722109 0.03684596 1 C C3 1 0.92095626 0.87525725 0.11827141 1 C C4 1 0.92101450 0.21315739 0.78703399 1 C C5 1 -0.07903103 0.71271277 0.28677659 1 C C6 1 0.92102475 0.37575609 0.61852370 1 C C7 1 0.42101240 0.62539207 0.36831664 1
-154.469331
166
166
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42875574 _cell_length_b 2.42875574 _cell_length_c 8.39527033 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.88772381 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.33333333 0.66666667 0.50113213 1.0 C C1 1 0.66666667 0.33333333 0.49886787 1.0 C C2 1 0.00000000 0.00000000 0.83446547 1.0 C C3 1 0.33333333 0.66666667 0.83220120 1.0 C C4 1 0.66666667 0.33333333 0.16779880 1.0 C C5 1 0.00000000 0.00000000 0.16553453 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.42097979, 0.12561263, 0.8684611 ], [ 0.42104524, 0.46307399, 0.53698242 ], [ 0.4210293, 0.96277891, 0.03684596 ], [ 0.92095626, 0.87525725, 0.11827141 ], [ 0.9210145, 0.21315739, 0.78703399 ], [ 0.92096897, 0.71271277, 0.28677659 ], [ 0.92102475, 0.37575609, 0.6185237 ], [ 0.4210124, 0.62539207, 0.36831664 ] ]
[ [ 2.4318847717367746, 0, -0.020360203701752573 ], [ -0.06057037167698124, 3.7340727515225303, -1.2339776492756558 ], [ 0, 0, 6.30106 ] ]
[ true, true, true ]
C-176648-5645-38
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48073000 _cell_length_b 5.03957000 _cell_length_c 6.00232000 _cell_angle_alpha 60.37949000 _cell_angle_beta 65.57458000 _cell_angle_gamma 89.97422000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 57.38997683 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.15610990 -0.09107843 0.87799395 1 C C1 1 0.07360311 0.21082318 0.46003773 1 C C2 1 0.47205081 0.00737567 0.56175400 1 C C3 1 0.93388468 0.39571981 0.60165009 1 C C4 1 0.24011963 0.26643646 0.79453489 1 C C5 1 0.69232926 0.90917201 0.34361868 1 C C6 1 1.19527326 0.74068964 0.34091224 1 C C7 1 0.39995586 0.39543913 0.13336485 1 C C8 1 -0.03600655 0.26626931 0.06976593 1 C C9 1 0.48508505 0.74042683 0.04908364 1
-154.339757
38
38
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46511426 _cell_length_b 8.46617802 _cell_length_c 2.48073000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 114.77997912 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.26718763 0.48027211 0.00000000 1.0 C C1 1 0.00000000 0.32932131 0.50000000 1.0 C C2 1 0.00000000 0.43104506 0.00000000 1.0 C C3 1 0.23424289 0.23687299 0.50000000 1.0 C C4 1 0.86248602 0.80151467 0.00000000 1.0 C C5 1 0.73281237 0.48027211 0.00000000 1.0 C C6 1 0.64598996 0.56438808 0.50000000 1.0 C C7 1 0.76575711 0.23687299 0.50000000 1.0 C C8 1 0.63751398 0.30151467 0.00000000 1.0 C C9 1 0.85401004 0.06438808 0.50000000 1.0 C C10 1 0.76718763 0.98027211 0.00000000 1.0 C C11 1 0.50000000 0.82932131 0.50000000 1.0 C C12 1 0.50000000 0.93104506 0.00000000 1.0 C C13 1 0.73424289 0.73687299 0.50000000 1.0 C C14 1 0.36248602 0.30151467 0.00000000 1.0 C C15 1 0.23281237 0.98027211 0.00000000 1.0 C C16 1 0.14598996 0.06438808 0.50000000 1.0 C C17 1 0.26575711 0.73687299 0.50000000 1.0 C C18 1 0.13751398 0.80151467 0.00000000 1.0 C C19 1 0.35401004 0.56438808 0.50000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.1561099, 0.90892157, 0.87799395 ], [ 0.07360311, 0.21082318, 0.46003773 ], [ 0.47205081, 0.00737567, 0.561754 ], [ 0.93388468, 0.39571981, 0.60165009 ], [ 0.24011963, 0.26643646, 0.79453489 ], [ 0.69232926, 0.90917201, 0.34361868 ], [ 0.19527326, 0.74068964, 0.34091224 ], [ 0.39995586, 0.39543913, 0.13336485 ], [ 0.96399345, 0.26626931, 0.06976593 ], [ 0.48508505, 0.74042683, 0.04908364 ] ]
[ [ 2.2587053897682225, 0, 1.0258027564458871 ], [ -1.1287297556891178, 4.233088186825689, 2.4908230218300917 ], [ 0, 0, 6.00232 ] ]
[ true, true, true ]
C-170384-6522-15
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42990000 _cell_length_b 2.43013000 _cell_length_c 8.48728000 _cell_angle_alpha 82.03271000 _cell_angle_beta 90.34702000 _cell_angle_gamma 59.98448000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.81063590 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.86808168 0.18798777 0.54311040 1 C C1 1 0.13390208 0.71980361 0.21038231 1 C C2 1 0.33279132 0.29035772 0.87701046 1 C C3 1 0.53474852 -0.14532369 0.54314787 1 C C4 1 0.46717349 1.05323130 0.21032749 1 C C5 1 0.66582821 0.62416369 0.87638526 1
-154.462116
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20805200 _cell_length_b 2.43013000 _cell_length_c 8.48343610 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.25945282 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 85.62217908 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.59954387 0.00000000 0.83363595 1.0 C C1 1 0.90045613 0.50000000 0.16636405 1.0 C C2 1 0.16494867 0.00000000 0.49973589 1.0 C C3 1 0.93285856 0.00000000 0.83359849 1.0 C C4 1 0.06714144 0.00000000 0.16640151 1.0 C C5 1 0.83505133 0.00000000 0.50026411 1.0 C C6 1 0.09954387 0.50000000 0.83363595 1.0 C C7 1 0.40045613 0.00000000 0.16636405 1.0 C C8 1 0.66494867 0.50000000 0.49973589 1.0 C C9 1 0.43285856 0.50000000 0.83359849 1.0 C C10 1 0.56714144 0.50000000 0.16640151 1.0 C C11 1 0.33505133 0.50000000 0.50026411 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.86808168, 0.18798777, 0.5431104 ], [ 0.13390208, 0.71980361, 0.21038231 ], [ 0.33279132, 0.29035772, 0.87701046 ], [ 0.53474852, 0.85467631, 0.54314787 ], [ 0.46717349, 0.05323129999999998, 0.21032749 ], [ 0.66582821, 0.62416369, 0.87638526 ] ]
[ [ 2.4298554322382455, 0, -0.014716943374504545 ], [ 1.2176974363498316, 2.07588224001891, 0.33683482002477355 ], [ 0, 0, 8.48728 ] ]
[ true, true, true ]
C-107719-7757-17
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47147000 _cell_length_b 6.09258000 _cell_length_c 6.49188000 _cell_angle_alpha 44.44821000 _cell_angle_beta 78.70084000 _cell_angle_gamma 81.74499000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 67.12470016 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.11329154 0.16217175 0.08202414 1 C C1 1 0.50140627 0.66369886 0.40294985 1 C C2 1 0.33857310 0.31566831 0.06204699 1 C C3 1 0.90804537 0.14331867 -0.14213696 1 C C4 1 0.30546462 0.67487214 0.82473622 1 C C5 1 0.70706896 0.17523567 0.48790011 1 C C6 1 0.82678865 0.83079693 0.63703327 1 C C7 1 0.93392059 0.81774847 0.39840535 1 C C8 1 1.25710459 0.66481640 0.07028156 1 C C9 1 0.49028034 0.28090258 0.65598271 1 C C10 1 0.71653593 0.78644905 0.09246792 1 C C11 1 0.25294321 0.31377017 0.30159062 1
-154.191985
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47147000 _cell_length_b 4.77415478 _cell_length_c 6.09258000 _cell_angle_alpha 107.78356299 _cell_angle_beta 98.25501000 _cell_angle_gamma 94.77238540 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 67.12470016 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.11329154 0.08202414 0.24419589 1.0 C C1 1 0.49859373 0.40294985 0.06664871 1.0 C C2 1 0.66142690 0.06204699 0.37771530 1.0 C C3 1 0.09195463 0.85786304 0.00118171 1.0 C C4 1 0.69453538 0.82473622 0.49960836 1.0 C C5 1 0.29293104 0.48790011 0.66313578 1.0 C C6 1 0.17321135 0.63703327 0.46783020 1.0 C C7 1 0.06607941 0.39840535 0.21615382 1.0 C C8 1 0.74289541 0.07028156 0.73509796 1.0 C C9 1 0.50971966 0.65598271 0.93688529 1.0 C C10 1 0.28346407 0.09246792 0.87891697 1.0 C C11 1 0.74705679 0.30159062 0.61536079 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.88670846, 0.16217175, 0.08202414 ], [ 0.50140627, 0.66369886, 0.40294985 ], [ 0.3385731, 0.31566831, 0.06204699 ], [ 0.90804537, 0.14331867, 0.85786304 ], [ 0.30546462, 0.67487214, 0.82473622 ], [ 0.70706896, 0.17523567, 0.48790011 ], [ 0.82678865, 0.83079693, 0.63703327 ], [ 0.93392059, 0.81774847, 0.39840535 ], [ 0.25710458999999997, 0.6648164, 0.07028156 ], [ 0.49028034, 0.28090258, 0.65598271 ], [ 0.71653593, 0.78644905, 0.09246792 ], [ 0.25294321, 0.31377017, 0.30159062 ] ]
[ [ 2.4235668097403082, 0, 0.4842394858179007 ], [ 0.023029488478068384, 4.266353910508284, 4.349393636974136 ], [ 0, 0, 6.49188 ] ]
[ true, true, true ]
C-106848-5207-31
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28846000 _cell_length_b 3.28737000 _cell_length_c 4.96873000 _cell_angle_alpha 67.55358000 _cell_angle_beta 67.56229000 _cell_angle_gamma 81.79507000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.88574660 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.37219732 0.87779618 1.06711096 1 C C1 1 0.01179951 0.23846381 0.06702620 1 C C2 1 0.33117057 0.55816907 0.38713652 1 C C3 1 0.83112252 1.05810242 0.88711773 1 C C4 1 0.51183640 0.73855338 0.56700485 1 C C5 1 0.19224440 0.69768015 -0.11308947 1 C C6 1 0.69229936 0.19774815 0.38693204 1 C C7 1 0.87225644 0.37785394 0.56710758 1
-154.333643
139
139
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30815318 _cell_length_b 4.30815318 _cell_length_c 2.47226943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.88577512 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.81981202 0.18018798 0.00000000 1.0 C C1 1 0.68018798 0.68018798 0.50000000 1.0 C C2 1 0.68018798 0.31981202 0.50000000 1.0 C C3 1 0.81981202 0.81981202 0.00000000 1.0 C C4 1 0.31981202 0.68018798 0.50000000 1.0 C C5 1 0.18018798 0.18018798 0.00000000 1.0 C C6 1 0.18018798 0.81981202 0.00000000 1.0 C C7 1 0.31981202 0.31981202 0.50000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.37219732, 0.87779618, 0.06711095999999994 ], [ 0.01179951, 0.23846381, 0.0670262 ], [ 0.33117057, 0.55816907, 0.38713652 ], [ 0.83112252, 0.05810241999999999, 0.88711773 ], [ 0.5118364, 0.73855338, 0.56700485 ], [ 0.1922444, 0.69768015, 0.88691053 ], [ 0.69229936, 0.19774815, 0.38693204 ], [ 0.87225644, 0.37785394, 0.56710758 ] ]
[ [ 3.0395072235324916, 0, 1.2551354547194526 ], [ -0.010734721262865784, 3.0382900030763333, 1.2551813175258077 ], [ 0, 0, 4.96873 ] ]
[ true, true, true ]
C-157701-8688-13
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27165000 _cell_length_b 3.27318000 _cell_length_c 3.63278000 _cell_angle_alpha 75.46016000 _cell_angle_beta 104.51593000 _cell_angle_gamma 99.20062000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 36.25867334 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.76360411 0.94593597 1.08610120 1 C C1 1 0.17818089 0.57437025 0.70394104 1 C C2 1 0.81774683 0.21316290 0.70421705 1 C C3 1 0.03025813 0.99985572 0.46806337 1 C C4 1 0.44676244 0.62836340 0.08598766 1 C C5 1 0.39191100 0.36032195 0.46810838 1
-154.203959
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98416181 _cell_length_b 4.24180777 _cell_length_c 3.63278000 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.23230785 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 72.51735728 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.84121372 0.00000000 1.0 C C1 1 0.10692875 0.31970818 0.38216016 1.0 C C2 1 0.60692875 0.18029182 0.38216016 1.0 C C3 1 0.39307125 0.18029182 0.61783984 1.0 C C4 1 0.00000000 0.15878628 0.00000000 1.0 C C5 1 0.89307125 0.31970818 0.61783984 1.0 C C6 1 0.50000000 0.34121372 0.00000000 1.0 C C7 1 0.60692875 0.81970818 0.38216016 1.0 C C8 1 0.10692875 0.68029182 0.38216016 1.0 C C9 1 0.89307125 0.68029182 0.61783984 1.0 C C10 1 0.50000000 0.65878628 0.00000000 1.0 C C11 1 0.39307125 0.81970818 0.61783984 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.76360411, 0.94593597, 0.0861012000000001 ], [ 0.17818089, 0.57437025, 0.70394104 ], [ 0.81774683, 0.2131629, 0.70421705 ], [ 0.03025813, 0.99985572, 0.46806337 ], [ 0.44676244, 0.6283634, 0.08598766 ], [ 0.391911, 0.36032195, 0.46810838 ] ]
[ [ 3.167212354573957, 0, -0.8200363550075644 ], [ -0.3278515764687613, 3.1513426629857766, 0.8217420986250259 ], [ 0, 0, 3.63278 ] ]
[ true, true, true ]
C-96663-8819-36
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52219000 _cell_length_b 4.18863000 _cell_length_c 5.49420000 _cell_angle_alpha 122.19953000 _cell_angle_beta 133.49901000 _cell_angle_gamma 72.38619000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.43293064 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.84408082 1.01501683 0.51036530 1 C C1 1 0.38149613 -0.02783312 0.85482240 1 C C2 1 0.60592322 0.35999908 0.46674997 1 C C3 1 0.75032757 0.33994546 0.22344627 1 C C4 1 0.51276401 0.68499370 0.18000348 1 C C5 1 0.97516555 0.72775745 0.83548928 1
-154.240752
71
71
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52219000 _cell_length_b 4.10884738 _cell_length_c 6.83818701 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 70.86614079 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50000000 0.16501156 0.50000000 1.0 C C1 1 0.50000000 0.31581514 0.69365352 1.0 C C2 1 0.50000000 0.31581514 0.30634648 1.0 C C3 1 0.50000000 0.68418486 0.69365352 1.0 C C4 1 0.50000000 0.83498844 0.50000000 1.0 C C5 1 0.50000000 0.68418486 0.30634648 1.0 C C6 1 0.00000000 0.66501156 0.00000000 1.0 C C7 1 0.00000000 0.81581514 0.19365352 1.0 C C8 1 0.00000000 0.81581514 0.80634648 1.0 C C9 1 0.00000000 0.18418486 0.19365352 1.0 C C10 1 0.00000000 0.33498844 0.00000000 1.0 C C11 1 0.00000000 0.18418486 0.80634648 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.84408082, 0.015016829999999981, 0.5103653 ], [ 0.38149613, 0.97216688, 0.8548224 ], [ 0.60592322, 0.35999908, 0.46674997 ], [ 0.75032757, 0.33994546, 0.22344627 ], [ 0.51276401, 0.6849937, 0.18000348 ], [ 0.97516555, 0.72775745, 0.83548928 ] ]
[ [ 1.8295619832593801, 0, -1.7361294149665238 ], [ -0.37069405556679363, 3.524970461891405, -2.2319924813629046 ], [ 0, 0, 5.4942 ] ]
[ true, true, true ]
C-170358-474-22
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45198000 _cell_length_b 4.91783000 _cell_length_c 4.85813000 _cell_angle_alpha 90.01902000 _cell_angle_beta 89.98929000 _cell_angle_gamma 90.00460000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.58137142 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.04483563 0.61381039 0.09630170 1 C C1 1 0.04460639 0.42397849 0.33486642 1 C C2 1 1.04474445 0.59475000 0.59632038 1 C C3 1 0.04489539 0.42383441 0.85689274 1 C C4 1 0.54469202 0.96176734 0.34252610 1 C C5 1 0.54487648 0.96168554 0.85081713 1 C C6 1 0.54455180 0.25197505 0.26771092 1 C C7 1 0.54484735 0.25192922 0.92509058 1 C C8 1 0.54476334 0.79797300 0.59667204 1 C C9 1 0.54487033 0.79186365 0.09664739 1
-154.177731
25
25
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45198000 _cell_length_b 4.85813000 _cell_length_c 4.91783000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.58137586 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50000000 0.50000000 0.38618961 1.0 C C1 1 0.50000000 0.26143528 0.57602151 1.0 C C2 1 0.50000000 0.00000000 0.40525000 1.0 C C3 1 0.50000000 0.73856472 0.57602151 1.0 C C4 1 0.00000000 0.25377560 0.03823266 1.0 C C5 1 0.00000000 0.74622440 0.03823266 1.0 C C6 1 0.00000000 0.32859078 0.74802495 1.0 C C7 1 0.00000000 0.67140922 0.74802495 1.0 C C8 1 0.00000000 0.00000000 0.20202700 1.0 C C9 1 0.00000000 0.50000000 0.20813635 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.044835629999999904, 0.61381039, 0.0963017 ], [ 0.04460639, 0.42397849, 0.33486642 ], [ 0.04474445000000005, 0.59475, 0.59632038 ], [ 0.04489539, 0.42383441, 0.85689274 ], [ 0.54469202, 0.96176734, 0.3425261 ], [ 0.54487648, 0.96168554, 0.85081713 ], [ 0.5445518, 0.25197505, 0.26771092 ], [ 0.54484735, 0.25192922, 0.92509058 ], [ 0.54476334, 0.797973, 0.59667204 ], [ 0.54487033, 0.79186365, 0.09664739 ] ]
[ [ 2.4519799571628464, 0, 0.0004583357774384041 ], [ -0.00039452354358226045, 4.917829713206259, -0.001632530802041074 ], [ 0, 0, 4.85813 ] ]
[ true, true, true ]
C-172919-5077-9
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27404000 _cell_length_b 3.63407000 _cell_length_c 3.26571000 _cell_angle_alpha 104.51172000 _cell_angle_beta 80.85378000 _cell_angle_gamma 104.57599000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 36.21421731 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.65338446 0.41607469 0.60930314 1 C C1 1 0.06879068 0.03477831 -0.01950281 1 C C2 1 1.01482126 0.41674190 0.24848542 1 C C3 1 0.80075619 0.65312538 0.03608233 1 C C4 1 0.44049793 0.65276031 0.39799300 1 C C5 1 0.38684578 1.03442062 0.66428792 1
-154.200804
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97828330 _cell_length_b 4.24088373 _cell_length_c 3.63407000 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.26193710 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 72.42868507 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.60644326 0.68012913 0.88165719 1.0 C C1 1 0.50000000 0.15802304 0.50000000 1.0 C C2 1 0.10644326 0.81987087 0.88165719 1.0 C C3 1 0.39355674 0.31987087 0.11834281 1.0 C C4 1 0.39355674 0.68012913 0.11834281 1.0 C C5 1 0.50000000 0.84197696 0.50000000 1.0 C C6 1 0.10644326 0.18012913 0.88165719 1.0 C C7 1 0.00000000 0.65802304 0.50000000 1.0 C C8 1 0.60644326 0.31987087 0.88165719 1.0 C C9 1 0.89355674 0.81987087 0.11834281 1.0 C C10 1 0.89355674 0.18012913 0.11834281 1.0 C C11 1 0.00000000 0.34197696 0.50000000 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.65338446, 0.41607469, 0.60930314 ], [ 0.06879068, 0.03477831, 0.98049719 ], [ 0.014821259999999947, 0.4167419, 0.24848542 ], [ 0.80075619, 0.65312538, 0.03608233 ], [ 0.44049793, 0.65276031, 0.397993 ], [ 0.38684578, 0.0344206199999999, 0.66428792 ] ]
[ [ 3.232413530546305, 0, 0.5204235670501208 ], [ -0.7797305918829582, 3.430635451785773, -0.9106181229980425 ], [ 0, 0, 3.26571 ] ]
[ true, true, true ]
C-40102-7970-11
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58416000 _cell_length_b 4.83266000 _cell_length_c 5.89329000 _cell_angle_alpha 113.68571000 _cell_angle_beta 96.25411000 _cell_angle_gamma 70.77839000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 63.61749220 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.01305825 0.80448782 0.07503211 1 C C1 1 0.83694936 0.27995420 0.46287404 1 C C2 1 0.96754795 0.02905126 0.55490691 1 C C3 1 -0.06570099 0.78569903 0.81697224 1 C C4 1 0.60511258 0.67063058 0.15737328 1 C C5 1 0.89852219 1.08419116 0.81522460 1 C C6 1 0.83310528 0.15768942 0.21002978 1 C C7 1 0.80882765 0.59533374 0.58311999 1 C C8 1 0.60180234 0.80923895 0.44537378 1 C C9 1 0.78763770 0.31810795 0.05416664 1
-154.06573
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.58416000 _cell_length_b 4.67007230 _cell_length_c 5.93323847 _cell_angle_alpha 109.96522831 _cell_angle_beta 99.20395605 _cell_angle_gamma 102.27828731 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 63.61749220 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.28360254 0.27054429 0.07503211 1.0 C C1 1 0.34597048 0.18291984 0.46287404 1.0 C C2 1 0.55830770 0.52585565 0.55490691 1.0 C C3 1 0.09697420 0.03127321 0.81697224 1.0 C C4 1 0.88163012 0.48674270 0.15737328 1.0 C C5 1 0.83251125 0.73103344 0.81522460 1.0 C C6 1 0.21923508 0.05234036 0.21002978 1.0 C C7 1 0.17895860 0.98778625 0.58311999 1.0 C C8 1 0.03433249 0.63613483 0.44537378 1.0 C C9 1 0.94842099 0.73605869 0.05416664 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.98694175, 0.80448782, 0.07503211 ], [ 0.83694936, 0.2799542, 0.46287404 ], [ 0.96754795, 0.02905126, 0.55490691 ], [ 0.93429901, 0.78569903, 0.81697224 ], [ 0.60511258, 0.67063058, 0.15737328 ], [ 0.89852219, 0.08419116000000004, 0.8152246 ], [ 0.83310528, 0.15768942, 0.21002978 ], [ 0.80882765, 0.59533374, 0.58311999 ], [ 0.60180234, 0.80923895, 0.44537378 ], [ 0.7876377, 0.31810795, 0.05416664 ] ]
[ [ 2.568780439758963, 0, -0.2815136904517231 ], [ 1.387791639770342, 4.202345418211759, -1.9413732320752186 ], [ 0, 0, 5.89329 ] ]
[ true, true, true ]
C-172963-753-28
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51440000 _cell_length_b 4.79786000 _cell_length_c 5.85530000 _cell_angle_alpha 72.18363000 _cell_angle_beta 102.00798000 _cell_angle_gamma 74.56527000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 61.51434310 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.28429493 1.01856473 0.49121674 1 C C1 1 0.20955262 0.26920962 0.59276953 1 C C2 1 -0.06381662 0.80405949 0.57766722 1 C C3 1 1.06352519 0.16331756 0.19616273 1 C C4 1 0.78419625 0.71257721 0.18199207 1 C C5 1 0.57343212 0.04904433 0.09491556 1 C C6 1 0.79705381 0.52925009 1.02609192 1 C C7 1 0.19529801 0.56731370 0.85546303 1 C C8 1 0.34264728 0.25660252 0.83303584 1 C C9 1 0.97307462 0.58537685 0.43762367 1
-154.13688
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24972721 _cell_length_b 2.51440000 _cell_length_c 5.82133012 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.67049490 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 123.03173738 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.79307819 0.00000000 0.50878326 1.0 C C1 1 0.61697935 0.00000000 0.40723047 1.0 C C2 1 0.85710557 0.50000000 0.42233278 1.0 C C3 1 0.86822878 0.00000000 0.80383727 1.0 C C4 1 0.60068428 0.00000000 0.81800793 1.0 C C5 1 0.97598898 0.50000000 0.90508444 1.0 C C6 1 0.77029792 0.00000000 0.97390808 1.0 C C7 1 0.83658056 0.50000000 0.14453697 1.0 C C8 1 0.00314974 0.50000000 0.16696416 1.0 C C9 1 0.03646866 0.50000000 0.56237633 1.0 C C10 1 0.29307819 0.50000000 0.50878326 1.0 C C11 1 0.11697935 0.50000000 0.40723047 1.0 C C12 1 0.35710557 0.00000000 0.42233278 1.0 C C13 1 0.36822878 0.50000000 0.80383727 1.0 C C14 1 0.10068428 0.50000000 0.81800793 1.0 C C15 1 0.47598898 0.00000000 0.90508444 1.0 C C16 1 0.27029792 0.50000000 0.97390808 1.0 C C17 1 0.33658056 0.00000000 0.14453697 1.0 C C18 1 0.50314974 0.00000000 0.16696416 1.0 C C19 1 0.53646866 0.00000000 0.56237633 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.28429493, 0.01856473000000003, 0.49121674 ], [ 0.20955262, 0.26920962, 0.59276953 ], [ 0.93618338, 0.80405949, 0.57766722 ], [ 0.06352519000000001, 0.16331756, 0.19616273 ], [ 0.78419625, 0.71257721, 0.18199207 ], [ 0.57343212, 0.04904433, 0.09491556 ], [ 0.79705381, 0.52925009, 0.026091920000000046 ], [ 0.19529801, 0.5673137, 0.85546303 ], [ 0.34264728, 0.25660252, 0.83303584 ], [ 0.97307462, 0.58537685, 0.43762367 ] ]
[ [ 2.4593814930107083, 0, -0.5231156964156404 ], [ 1.617714393569752, 4.271705841570794, 1.467988393526052 ], [ 0, 0, 5.8553 ] ]
[ true, true, true ]
C-141057-8821-1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21755000 _cell_length_b 2.48139000 _cell_length_c 3.68852000 _cell_angle_alpha 70.36585000 _cell_angle_beta 75.08677000 _cell_angle_gamma 89.93136000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 34.97818120 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.91291240 0.05652346 0.27434603 1 C C1 1 0.53947401 0.93678581 0.51910681 1 C C2 1 -0.16227161 0.25685251 0.87623731 1 C C3 1 0.40884133 0.51538524 0.36176646 1 C C4 1 0.61519957 0.73665161 0.91665817 1 C C5 1 0.04392102 0.47826867 0.43085362 1
-154.309805
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94811981 _cell_length_b 2.48139000 _cell_length_c 4.21755000 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.83185314 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 69.95643123 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.05986883 0.00000000 0.18671920 1.0 C C1 1 0.94013117 0.00000000 0.81328080 1.0 C C2 1 0.75892319 0.50000000 0.11153519 1.0 C C3 1 0.01615861 0.50000000 0.68264813 1.0 C C4 1 0.74107681 0.00000000 0.88846481 1.0 C C5 1 0.98384139 0.50000000 0.31735187 1.0 C C6 1 0.55986883 0.50000000 0.18671920 1.0 C C7 1 0.44013117 0.50000000 0.81328080 1.0 C C8 1 0.25892319 0.00000000 0.11153519 1.0 C C9 1 0.51615861 0.00000000 0.68264813 1.0 C C10 1 0.24107681 0.50000000 0.88846481 1.0 C C11 1 0.48384139 0.00000000 0.31735187 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.9129124, 0.05652346, 0.27434603 ], [ 0.53947401, 0.93678581, 0.51910681 ], [ 0.83772839, 0.25685251, 0.87623731 ], [ 0.40884133, 0.51538524, 0.36176646 ], [ 0.61519957, 0.73665161, 0.91665817 ], [ 0.04392102, 0.47826867, 0.43085362 ] ]
[ [ 4.075488912814137, 0, 1.0854114998603286 ], [ -0.21898137936344192, 2.3268338038535523, 0.8337793094317546 ], [ 0, 0, 3.68852 ] ]
[ true, true, true ]
C-170888-2365-47
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29445000 _cell_length_b 4.77365000 _cell_length_c 6.07288000 _cell_angle_alpha 60.89419000 _cell_angle_beta 91.73116000 _cell_angle_gamma 80.39109000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 81.58370790 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.43553507 0.00745099 0.80163102 1 C C1 1 0.05183798 0.26460043 0.24887433 1 C C2 1 0.00369673 0.71639822 0.51412738 1 C C3 1 0.34947012 0.69400203 0.91268074 1 C C4 1 0.15777614 0.57661445 0.14208112 1 C C5 1 0.38709304 0.53257000 0.75723902 1 C C6 1 1.14470300 1.08624354 0.12625286 1 C C7 1 1.20398368 0.23583082 0.86901326 1 C C8 1 0.88862783 0.06402743 0.46909400 1 C C9 1 0.10969721 0.76719222 0.26272847 1 C C10 1 0.68680151 0.17038157 0.61910916 1 C C11 1 0.78120970 0.43575130 0.66929734 1
-154.067249
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29445000 _cell_length_b 4.77365000 _cell_length_c 5.60936132 _cell_angle_alpha 71.07100166 _cell_angle_beta 79.93534601 _cell_angle_gamma 80.39109000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 81.58370790 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.56446493 0.19091799 0.80163102 1.0 C C1 1 0.94816202 0.48652524 0.24887433 1.0 C C2 1 0.99630327 0.76947440 0.51412738 1.0 C C3 1 0.65052988 0.39331723 0.91268074 1.0 C C4 1 0.84222386 0.28130443 0.14208112 1.0 C C5 1 0.61290696 0.71019098 0.75723902 1.0 C C6 1 0.85529700 0.78750360 0.12625286 1.0 C C7 1 0.79601632 0.89515592 0.86901326 1.0 C C8 1 0.11137217 0.46687857 0.46909400 1.0 C C9 1 0.89030279 0.97007931 0.26272847 1.0 C C10 1 0.31319849 0.21050927 0.61910916 1.0 C C11 1 0.21879030 0.89495136 0.66929734 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.43553507, 0.00745099, 0.80163102 ], [ 0.05183798, 0.26460043, 0.24887433 ], [ 0.00369673, 0.71639822, 0.51412738 ], [ 0.34947012, 0.69400203, 0.91268074 ], [ 0.15777614, 0.57661445, 0.14208112 ], [ 0.38709304, 0.53257, 0.75723902 ], [ 0.14470300000000003, 0.0862435399999999, 0.12625286 ], [ 0.2039836799999999, 0.23583082, 0.86901326 ], [ 0.88862783, 0.06402743, 0.469094 ], [ 0.10969721, 0.76719222, 0.26272847 ], [ 0.68680151, 0.17038157, 0.61910916 ], [ 0.7812097, 0.4357513, 0.66929734 ] ]
[ [ 3.292946342107963, 0, -0.09952482352551167 ], [ 0.8673712528205442, 4.079661086921894, 2.3220178397539892 ], [ 0, 0, 6.07288 ] ]
[ true, true, true ]
C-176679-1286-10
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13547000 _cell_length_b 3.22848000 _cell_length_c 4.81606000 _cell_angle_alpha 100.83574000 _cell_angle_beta 104.40642000 _cell_angle_gamma 109.92243000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.35463231 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.48961157 0.08919229 0.48184950 1 C C1 1 0.87439875 0.47088387 0.48243577 1 C C2 1 0.52381627 1.12372253 0.78630641 1 C C3 1 0.92805146 0.52928099 0.98070357 1 C C4 1 0.08730035 0.68215506 0.28761452 1 C C5 1 0.14202760 0.73958995 0.78587513 1
-154.098015
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65453330 _cell_length_b 8.91140711 _cell_length_c 3.13547000 _cell_angle_alpha 90.00000000 _cell_angle_beta 123.84476855 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 84.80987133 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.30944735 0.67448401 0.00154780 1.0 C C1 1 0.69055265 0.67448401 0.99845220 1.0 C C2 1 0.19055265 0.82551599 0.99845220 1.0 C C3 1 0.50000000 0.92391104 0.00000000 1.0 C C4 1 0.00000000 0.57608896 0.00000000 1.0 C C5 1 0.80944735 0.82551599 0.00154780 1.0 C C6 1 0.80944735 0.17448401 0.00154780 1.0 C C7 1 0.19055265 0.17448401 0.99845220 1.0 C C8 1 0.69055265 0.32551599 0.99845220 1.0 C C9 1 0.00000000 0.42391104 0.00000000 1.0 C C10 1 0.50000000 0.07608896 0.00000000 1.0 C C11 1 0.30944735 0.32551599 0.00154780 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.48961157, 0.08919229, 0.4818495 ], [ 0.87439875, 0.47088387, 0.48243577 ], [ 0.52381627, 0.12372253, 0.78630641 ], [ 0.92805146, 0.52928099, 0.98070357 ], [ 0.08730035, 0.68215506, 0.28761452 ], [ 0.1420276, 0.73958995, 0.78587513 ] ]
[ [ 3.036876052979489, 0, -0.7800999677860021 ], [ -1.2917190684656528, 2.8958893253077886, -0.6069349010648699 ], [ 0, 0, 4.81606 ] ]
[ true, true, true ]
C-177273-2684-60
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.53990000 _cell_length_b 2.47129000 _cell_length_c 8.11670000 _cell_angle_alpha 89.93620000 _cell_angle_beta 107.69076000 _cell_angle_gamma 90.18143000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 48.53763294 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.70706586 0.93412371 0.95718980 1 C C1 1 0.59743721 0.43402181 0.84480848 1 C C2 1 1.32008572 -0.06601289 0.07456837 1 C C3 1 -0.01538006 0.43378297 0.72752740 1 C C4 1 0.60677999 0.43361277 0.35526500 1 C C5 1 0.42345422 0.43391156 0.17815426 1 C C6 1 -0.11746355 0.93375574 0.62401470 1 C C7 1 -0.29953029 -0.06635768 0.44686260 1
-154.253795
51
51
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47129000 _cell_length_b 2.53990000 _cell_length_c 7.73321368 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 48.54006352 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.25000000 0.00000000 0.05619066 1.0 C C1 1 0.75000000 0.00000000 0.94380934 1.0 C C2 1 0.25000000 0.50000000 0.17356923 1.0 C C3 1 0.75000000 0.50000000 0.82643077 1.0 C C4 1 0.75000000 0.50000000 0.45426586 1.0 C C5 1 0.75000000 0.50000000 0.27715512 1.0 C C6 1 0.25000000 0.50000000 0.72284488 1.0 C C7 1 0.25000000 0.50000000 0.54573414 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.70706586, 0.93412371, 0.9571898 ], [ 0.59743721, 0.43402181, 0.84480848 ], [ 0.32008572, 0.93398711, 0.07456837 ], [ 0.98461994, 0.43378297, 0.7275274 ], [ 0.60677999, 0.43361277, 0.355265 ], [ 0.42345422, 0.43391156, 0.17815426 ], [ 0.88253645, 0.93375574, 0.6240147 ], [ 0.70046971, 0.93364232, 0.4468626 ] ]
[ [ 2.419789398435518, 0, -0.7718233458629457 ], [ -0.007336150658049416, 2.471277578990839, 0.0027518304272505715 ], [ 0, 0, 8.1167 ] ]
[ true, true, true ]
C-126179-5885-46
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66987000 _cell_length_b 4.24325000 _cell_length_c 4.88781000 _cell_angle_alpha 90.07321000 _cell_angle_beta 85.13135000 _cell_angle_gamma 67.39344000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 69.96462538 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.30650543 0.64314690 -0.21133865 1 C C1 1 0.25006833 0.67108851 0.28556964 1 C C2 1 0.19068308 0.17721985 0.53227337 1 C C3 1 0.33794235 0.13413401 0.02346333 1 C C4 1 0.79352072 0.20343106 0.47390873 1 C C5 1 0.37065753 0.44510628 0.52847799 1 C C6 1 0.82707701 0.90958647 0.34706165 1 C C7 1 0.28753471 0.98165778 0.79037617 1 C C8 1 0.31221221 0.47453031 0.02518335 1 C C9 1 0.43050813 0.93903744 0.28157303 1
-154.126192
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66987000 _cell_length_b 4.24325000 _cell_length_c 4.88781000 _cell_angle_alpha 90.07321000 _cell_angle_beta 94.86865000 _cell_angle_gamma 112.60656000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 69.96462538 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.99714661 0.91569170 0.11826100 1.0 C C1 1 0.94070951 0.88775009 0.62135271 1.0 C C2 1 0.88132426 0.38161875 0.37464898 1.0 C C3 1 0.02858353 0.42470460 0.88345902 1.0 C C4 1 0.48416190 0.35540754 0.43301362 1.0 C C5 1 0.05929049 0.11224991 0.37864729 1.0 C C6 1 0.51583810 0.64459246 0.56698638 1.0 C C7 1 0.97141647 0.57529540 0.11654098 1.0 C C8 1 0.00285339 0.08430830 0.88173900 1.0 C C9 1 0.11867574 0.61838125 0.62535102 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.3065054300000001, 0.6431469, 0.78866135 ], [ 0.25006833, 0.67108851, 0.28556964 ], [ 0.19068308, 0.17721985, 0.53227337 ], [ 0.33794235, 0.13413401, 0.02346333 ], [ 0.79352072, 0.20343106, 0.47390873 ], [ 0.37065753, 0.44510628, 0.52847799 ], [ 0.82707701, 0.90958647, 0.34706165 ], [ 0.28753471, 0.98165778, 0.79037617 ], [ 0.31221221, 0.47453031, 0.02518335 ], [ 0.43050813, 0.93903744, 0.28157303 ] ]
[ [ 3.656628682705475, 0, 0.3114682868537754 ], [ 1.6374780072352944, 3.914563442074831, -0.0054218347426200995 ], [ 0, 0, 4.88781 ] ]
[ true, true, true ]
C-90835-6350-4
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48486000 _cell_length_b 4.08756000 _cell_length_c 4.67755000 _cell_angle_alpha 83.30335000 _cell_angle_beta 74.56200000 _cell_angle_gamma 89.98767000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.45971087 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.27089240 0.78163936 0.24154755 1 C C1 1 0.38095794 0.53915845 0.01518899 1 C C2 1 0.59745864 0.07574135 0.58573874 1 C C3 1 -0.11815443 0.31449385 0.01318199 1 C C4 1 0.11270328 0.60143340 0.55637228 1 C C5 1 -0.23041942 0.00806189 0.24376939 1 C C6 1 0.54025094 0.72029404 0.70026880 1 C C7 1 1.05323136 0.24549457 0.67207835 1
-154.368545
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01756091 _cell_length_b 2.48486000 _cell_length_c 4.08756000 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.94510510 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 90.91943913 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.44185349 0.50000000 0.12124046 1.0 C C1 1 0.55814651 0.50000000 0.87875954 1.0 C C2 1 0.26975790 0.00000000 0.41534245 1.0 C C3 1 0.55603627 0.00000000 0.65409495 1.0 C C4 1 0.28444113 0.50000000 0.94103449 1.0 C C5 1 0.44396373 0.00000000 0.34590505 1.0 C C6 1 0.21555887 0.00000000 0.05896551 1.0 C C7 1 0.23024210 0.50000000 0.58465755 1.0 C C8 1 0.94185349 0.00000000 0.12124046 1.0 C C9 1 0.05814651 0.00000000 0.87875954 1.0 C C10 1 0.76975790 0.50000000 0.41534245 1.0 C C11 1 0.05603627 0.50000000 0.65409495 1.0 C C12 1 0.78444113 0.00000000 0.94103449 1.0 C C13 1 0.94396373 0.50000000 0.34590505 1.0 C C14 1 0.71555887 0.50000000 0.05896551 1.0 C C15 1 0.73024210 0.00000000 0.58465755 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.2708924, 0.78163936, 0.24154755 ], [ 0.38095794, 0.53915845, 0.01518899 ], [ 0.59745864, 0.07574135, 0.58573874 ], [ 0.88184557, 0.31449385, 0.01318199 ], [ 0.11270328, 0.6014334, 0.55637228 ], [ 0.76958058, 0.00806189, 0.24376939 ], [ 0.54025094, 0.72029404, 0.7002688 ], [ 0.05323136000000006, 0.24549457, 0.67207835 ] ]
[ [ 2.395203937107346, 0, 0.6614584788673203 ], [ -0.13072200547337495, 4.057567317860702, 0.4766612758696995 ], [ 0, 0, 4.67755 ] ]
[ true, true, true ]
C-177280-5724-40
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36023000 _cell_length_b 3.76123000 _cell_length_c 4.56396000 _cell_angle_alpha 92.16938000 _cell_angle_beta 90.44209000 _cell_angle_gamma 92.52722000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.58210707 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.14279500 0.85468464 0.90604316 1 C C1 1 -0.00293015 0.16744679 0.05681198 1 C C2 1 0.36995858 0.35001159 0.67480881 1 C C3 1 0.59717090 0.85268678 0.44137380 1 C C4 1 0.14115948 0.48067236 -0.09477465 1 C C5 1 0.37045841 0.98358229 0.67375749 1 C C6 1 0.59544410 0.47869675 0.44052125 1 C C7 1 0.74441337 0.16627461 0.29185135 1
-154.078054
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36023000 _cell_length_b 3.76123000 _cell_length_c 4.56396000 _cell_angle_alpha 92.16938000 _cell_angle_beta 90.44209000 _cell_angle_gamma 92.52722000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.58210707 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.77367545 0.68799395 0.73276095 1.0 C C1 1 0.62795030 0.00075610 0.88352978 1.0 C C2 1 0.00083903 0.18332090 0.50152661 1.0 C C3 1 0.22805135 0.68599608 0.26809160 1.0 C C4 1 0.77194865 0.31400392 0.73190840 1.0 C C5 1 0.99916097 0.81667910 0.49847339 1.0 C C6 1 0.22632455 0.31200605 0.26723905 1.0 C C7 1 0.37204970 0.99924390 0.11647022 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.142795, 0.85468464, 0.90604316 ], [ 0.99706985, 0.16744679, 0.05681198 ], [ 0.36995858, 0.35001159, 0.67480881 ], [ 0.5971709, 0.85268678, 0.4413738 ], [ 0.14115948, 0.48067236, 0.90522535 ], [ 0.37045841, 0.98358229, 0.67375749 ], [ 0.5954441, 0.47869675, 0.44052125 ], [ 0.74441337, 0.16627461, 0.29185135 ] ]
[ [ 3.3601299739837556, 0, -0.02592702906091628 ], [ -0.16695123644138427, 3.7548245304555192, -0.14237676439707822 ], [ 0, 0, 4.56396 ] ]
[ true, true, true ]
C-152607-7999-37
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47342000 _cell_length_b 3.26016000 _cell_length_c 8.31729000 _cell_angle_alpha 85.42830000 _cell_angle_beta 98.54798000 _cell_angle_gamma 112.35931000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 61.31737779 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.13761063 0.15306663 0.87450684 1 C C1 1 0.97872591 0.52468554 0.73690615 1 C C2 1 1.32853667 0.47843563 0.48006161 1 C C3 1 0.89379049 0.84508616 0.24504519 1 C C4 1 0.53372076 0.12329039 0.24557036 1 C C5 1 0.77831009 0.47385701 0.38347296 1 C C6 1 0.22232599 0.87478453 -0.12599311 1 C C7 1 0.65145609 0.49424368 0.11152503 1 C C8 1 0.10550940 0.50358126 1.00862757 1 C C9 1 0.42904862 0.52066387 0.64037349 1
-154.28347
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03010311 _cell_length_b 2.47342000 _cell_length_c 8.68811588 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.84777490 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 122.63483862 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.51570056 0.00000000 0.18526918 1.0 C C1 1 0.39869145 0.00000000 0.32286986 1.0 C C2 1 0.55023868 0.50000000 0.57971441 1.0 C C3 1 0.48429944 0.00000000 0.81473082 1.0 C C4 1 0.84505692 0.00000000 0.81420566 1.0 C C5 1 0.60130855 0.00000000 0.67713014 1.0 C C6 1 0.15494308 0.00000000 0.18579434 1.0 C C7 1 0.72660294 0.00000000 0.94825099 1.0 C C8 1 0.77339706 0.50000000 0.05174901 1.0 C C9 1 0.44976132 0.50000000 0.42028559 1.0 C C10 1 0.01570056 0.50000000 0.18526918 1.0 C C11 1 0.89869145 0.50000000 0.32286986 1.0 C C12 1 0.05023868 0.00000000 0.57971441 1.0 C C13 1 0.98429944 0.50000000 0.81473082 1.0 C C14 1 0.34505692 0.50000000 0.81420566 1.0 C C15 1 0.10130855 0.50000000 0.67713014 1.0 C C16 1 0.65494308 0.50000000 0.18579434 1.0 C C17 1 0.22660294 0.50000000 0.94825099 1.0 C C18 1 0.27339706 0.00000000 0.05174901 1.0 C C19 1 0.94976132 0.00000000 0.42028559 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.86238937, 0.15306663, 0.87450684 ], [ 0.97872591, 0.52468554, 0.73690615 ], [ 0.3285366700000001, 0.47843563, 0.48006161 ], [ 0.89379049, 0.84508616, 0.24504519 ], [ 0.53372076, 0.12329039, 0.24557036 ], [ 0.77831009, 0.47385701, 0.38347296 ], [ 0.22232599, 0.87478453, 0.87400689 ], [ 0.65145609, 0.49424368, 0.11152503 ], [ 0.1055094, 0.50358126, 0.008627570000000029 ], [ 0.42904862, 0.52066387, 0.64037349 ] ]
[ [ 2.445944606742873, 0, -0.3676431383086754 ], [ -1.2150825598623163, 3.0140823406236317, 0.2598561953450629 ], [ 0, 0, 8.31729 ] ]
[ true, true, true ]
C-9592-5537-59
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45939000 _cell_length_b 4.54314000 _cell_length_c 6.68252000 _cell_angle_alpha 105.86104000 _cell_angle_beta 89.99764000 _cell_angle_gamma 105.74495000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 68.90664808 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.00513200 0.45410495 0.72452515 1 C C1 1 0.82884419 0.10280905 0.70330426 1 C C2 1 0.72064145 -0.10913967 0.24898389 1 C C3 1 0.29595220 0.04154804 0.36855268 1 C C4 1 0.48271861 0.41757285 0.40897790 1 C C5 1 0.05838310 0.56793075 0.53689696 1 C C6 1 0.83530851 0.11494862 0.92855446 1 C C7 1 0.53609474 0.52119448 0.21352786 1 C C8 1 0.70432591 0.85168027 1.01218074 1 C C9 1 0.24771778 -0.05756344 0.57765608 1 C C10 1 -0.01148063 0.42657361 0.07658902 1 C C11 1 1.10157735 0.64608840 0.94069091 1
-154.244536
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74535733 _cell_length_b 2.45939000 _cell_length_c 6.68252000 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.49597206 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 137.81333300 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.55102705 0.00000000 0.27547485 1.0 C C1 1 0.72667500 0.00000000 0.29669574 1.0 C C2 1 0.33264936 0.50000000 0.75101611 1.0 C C3 1 0.75730550 0.50000000 0.63144732 1.0 C C4 1 0.56929310 0.50000000 0.59102210 1.0 C C5 1 0.49411415 0.00000000 0.46310304 1.0 C C6 1 0.72060521 0.00000000 0.07144554 1.0 C C7 1 0.51748228 0.50000000 0.78647214 1.0 C C8 1 0.35223939 0.50000000 0.98781926 1.0 C C9 1 0.30686124 0.00000000 0.42234392 1.0 C C10 1 0.56479272 0.00000000 0.92341098 1.0 C C11 1 0.45503532 0.00000000 0.05930909 1.0 C C12 1 0.05102705 0.50000000 0.27547485 1.0 C C13 1 0.22667500 0.50000000 0.29669574 1.0 C C14 1 0.83264936 0.00000000 0.75101611 1.0 C C15 1 0.25730550 0.00000000 0.63144732 1.0 C C16 1 0.06929310 0.00000000 0.59102210 1.0 C C17 1 0.99411415 0.50000000 0.46310304 1.0 C C18 1 0.22060521 0.50000000 0.07144554 1.0 C C19 1 0.01748228 0.00000000 0.78647214 1.0 C C20 1 0.85223939 0.00000000 0.98781926 1.0 C C21 1 0.80686124 0.50000000 0.42234392 1.0 C C22 1 0.06479272 0.50000000 0.92341098 1.0 C C23 1 0.95503532 0.50000000 0.05930909 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.005131999999999914, 0.45410495, 0.72452515 ], [ 0.82884419, 0.10280905, 0.70330426 ], [ 0.72064145, 0.89086033, 0.24898389 ], [ 0.2959522, 0.04154804, 0.36855268 ], [ 0.48271861, 0.41757285, 0.4089779 ], [ 0.0583831, 0.56793075, 0.53689696 ], [ 0.83530851, 0.11494862, 0.92855446 ], [ 0.53609474, 0.52119448, 0.21352786 ], [ 0.70432591, 0.85168027, 0.012180740000000023 ], [ 0.24771778, 0.94243656, 0.57765608 ], [ 0.98851937, 0.42657361, 0.07658902 ], [ 0.1015773499999999, 0.6460884, 0.94069091 ] ]
[ [ 2.459389997913703, 0, 0.00010130170926509107 ], [ -1.232755423406776, 4.192696778564261, -1.241663742193535 ], [ 0, 0, 6.68252 ] ]
[ true, true, true ]
C-13649-661-10
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44598000 _cell_length_b 4.16683000 _cell_length_c 8.52931000 _cell_angle_alpha 81.24061000 _cell_angle_beta 81.72826000 _cell_angle_gamma 90.00995000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 85.00119582 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.04182308 1.01791420 0.54148444 1 C C1 1 0.45120546 0.28770874 0.72945360 1 C C2 1 0.28897428 0.18515796 0.05317525 1 C C3 1 0.79244278 0.34367802 1.04647435 1 C C4 1 -0.03778749 0.10718807 0.70587878 1 C C5 1 -0.08943779 0.74962977 0.81055291 1 C C6 1 0.43257776 0.58438109 0.76822801 1 C C7 1 0.27941253 0.82746113 0.07273446 1 C C8 1 0.64946800 0.81639465 0.32798444 1 C C9 1 0.18896455 0.77832650 0.25222421 1 C C10 1 0.81358861 0.69838834 0.00262251 1 C C11 1 0.57515271 -0.05240368 0.47425686 1
-154.200877
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.88115895 _cell_length_b 2.44598000 _cell_length_c 4.16683000 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.85366685 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 170.00241713 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.54182308 0.50000000 0.01791420 1.0 C C1 1 0.44783850 0.00000000 0.28770874 1.0 C C2 1 0.78597767 0.50000000 0.18515796 1.0 C C3 1 0.78932812 0.00000000 0.34367802 1.0 C C4 1 0.45962591 0.50000000 0.10718807 1.0 C C5 1 0.40728885 0.50000000 0.74962977 1.0 C C6 1 0.42845130 0.00000000 0.58438109 1.0 C C7 1 0.77619807 0.50000000 0.82746113 1.0 C C8 1 0.64857308 0.00000000 0.81639465 1.0 C C9 1 0.68645319 0.50000000 0.77832650 1.0 C C10 1 0.81125404 0.00000000 0.69838834 1.0 C C11 1 0.57543687 0.00000000 0.94759632 1.0 C C12 1 0.04182308 0.00000000 0.01791420 1.0 C C13 1 0.94783850 0.50000000 0.28770874 1.0 C C14 1 0.28597767 0.00000000 0.18515796 1.0 C C15 1 0.28932812 0.50000000 0.34367802 1.0 C C16 1 0.95962591 0.00000000 0.10718807 1.0 C C17 1 0.90728885 0.00000000 0.74962977 1.0 C C18 1 0.92845129 0.50000000 0.58438109 1.0 C C19 1 0.27619807 0.00000000 0.82746113 1.0 C C20 1 0.14857308 0.50000000 0.81639465 1.0 C C21 1 0.18645319 0.00000000 0.77832650 1.0 C C22 1 0.31125404 0.50000000 0.69838834 1.0 C C23 1 0.07543687 0.50000000 0.94759632 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.0418230799999999, 0.017914200000000102, 0.54148444 ], [ 0.45120546, 0.28770874, 0.7294536 ], [ 0.28897428, 0.18515796, 0.05317525 ], [ 0.79244278, 0.34367802, 0.04647435 ], [ 0.96221251, 0.10718807, 0.70587878 ], [ 0.91056221, 0.74962977, 0.81055291 ], [ 0.43257776, 0.58438109, 0.76822801 ], [ 0.27941253, 0.82746113, 0.07273446 ], [ 0.649468, 0.81639465, 0.32798444 ], [ 0.18896455, 0.7783265, 0.25222421 ], [ 0.81358861, 0.69838834, 0.00262251 ], [ 0.57515271, 0.94759632, 0.47425686 ] ]
[ [ 2.420534150903529, 0, 0.35189854320490016 ], [ -0.09298203231543974, 4.117180639269302, 0.6345472198288403 ], [ 0, 0, 8.52931 ] ]
[ true, true, true ]
C-106848-5207-16
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32011000 _cell_length_b 3.32400000 _cell_length_c 5.44206000 _cell_angle_alpha 52.87146000 _cell_angle_beta 86.22177000 _cell_angle_gamma 83.32004000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 47.55812783 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.01168070 0.73852727 0.84620621 1 C C1 1 0.40710685 0.32559451 0.36303449 1 C C2 1 0.65828289 0.09170620 0.84635421 1 C C3 1 0.28468572 0.17760751 0.67954405 1 C C4 1 0.76284113 -0.02964887 0.36323331 1 C C5 1 0.03364451 0.41105227 0.19609622 1 C C6 1 0.92953428 0.53233474 0.67914642 1 C C7 1 0.68080412 0.76405597 0.19606720 1
-154.190014
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96382978 _cell_length_b 4.41640201 _cell_length_c 4.33904046 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.59393174 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 95.11649655 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.01098191 0.67642019 0.17494500 1.0 C C1 1 0.76132107 0.82218551 0.65811673 1.0 C C2 1 0.51098190 0.82357981 0.17494500 1.0 C C3 1 0.73867893 0.67781449 0.34188327 1.0 C C4 1 0.76132107 0.17781449 0.65811673 1.0 C C5 1 0.98901809 0.67642019 0.82505500 1.0 C C6 1 0.73867893 0.32218551 0.34188327 1.0 C C7 1 0.48901809 0.82357981 0.82505500 1.0 C C8 1 0.51098190 0.17642019 0.17494500 1.0 C C9 1 0.26132107 0.32218551 0.65811673 1.0 C C10 1 0.01098190 0.32357981 0.17494500 1.0 C C11 1 0.23867893 0.17781449 0.34188327 1.0 C C12 1 0.26132107 0.67781449 0.65811673 1.0 C C13 1 0.48901809 0.17642019 0.82505500 1.0 C C14 1 0.23867893 0.82218551 0.34188327 1.0 C C15 1 0.98901810 0.32357981 0.82505500 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.0116807, 0.73852727, 0.84620621 ], [ 0.40710685, 0.32559451, 0.36303449 ], [ 0.65828289, 0.0917062, 0.84635421 ], [ 0.28468572, 0.17760751, 0.67954405 ], [ 0.76284113, 0.97035113, 0.36323331 ], [ 0.03364451, 0.41105227, 0.19609622 ], [ 0.92953428, 0.53233474, 0.67914642 ], [ 0.68080412, 0.76405597, 0.1960672 ] ]
[ [ 3.3128939984774837, 0, 0.2187778941115229 ], [ 0.2550028620834492, 2.637873008676237, 2.0063836947170968 ], [ 0, 0, 5.44206 ] ]
[ true, true, true ]
C-189738-7344-30
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42923000 _cell_length_b 3.69707000 _cell_length_c 5.90468000 _cell_angle_alpha 84.20840000 _cell_angle_beta 109.60033000 _cell_angle_gamma 116.75026000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 44.53161778 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.70736336 0.19073441 0.55968924 1 C C1 1 0.37434994 -0.03154200 0.33812302 1 C C2 1 0.70739565 0.52411167 0.89303732 1 C C3 1 0.70737735 0.85743147 0.22634729 1 C C4 1 0.37436824 0.63513820 0.00481304 1 C C5 1 0.37438222 0.30183526 0.67147110 1
-154.438297
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42498608 _cell_length_b 4.20547902 _cell_length_c 2.99494104 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.39711639 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C4 _cell_volume 29.71193924 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.83349401 0.00000000 1.0 C C1 1 0.50000000 0.66650599 0.00000000 1.0 C C2 1 0.50000000 0.33349401 0.00000000 1.0 C C3 1 0.00000000 0.16650599 0.00000000 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.70736336, 0.19073441, 0.55968924 ], [ 0.37434994, 0.968458, 0.33812302 ], [ 0.70739565, 0.52411167, 0.89303732 ], [ 0.70737735, 0.85743147, 0.22634729 ], [ 0.37436824, 0.6351382, 0.00481304 ], [ 0.37438222, 0.30183526, 0.6714711 ] ]
[ [ 2.2884695325727216, 0, -0.8149021974362257 ], [ -1.6335666610957844, 3.2955429169887593, 0.37307295659373857 ], [ 0, 0, 5.90468 ] ]
[ true, true, true ]
C-176635-5996-13
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40716000 _cell_length_b 3.88737000 _cell_length_c 6.40765000 _cell_angle_alpha 46.29774000 _cell_angle_beta 66.97052000 _cell_angle_gamma 71.14692000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 56.28669703 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.91156663 0.77550913 0.07604543 1 C C1 1 0.26333928 0.38654629 0.86834685 1 C C2 1 0.25145663 0.79871157 0.36158867 1 C C3 1 0.98199905 0.02598936 0.15108313 1 C C4 1 0.56945896 0.41134833 0.35420675 1 C C5 1 0.33541824 0.63721874 0.94266965 1 C C6 1 0.52359212 0.21855020 0.21929976 1 C C7 1 0.72264368 0.19406888 0.79980633 1 C C8 1 0.99453805 0.61372146 0.65761549 1 C C9 1 0.67787287 1.00146905 0.66446364 1
-154.194275
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40716000 _cell_length_b 3.88737000 _cell_length_c 4.66368447 _cell_angle_alpha 83.35405513 _cell_angle_beta 74.44628504 _cell_angle_gamma 71.14692000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 56.28669703 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.78807420 0.63583309 0.06668789 1.0 C C1 1 0.13984685 0.03917166 0.85898931 1.0 C C2 1 0.12796420 0.94457877 0.35223113 1.0 C C3 1 0.86015315 0.96082834 0.14101069 1.0 C C4 1 0.44596653 0.54983360 0.34484921 1.0 C C5 1 0.21192580 0.36416691 0.93331211 1.0 C C6 1 0.40009969 0.22212848 0.20994222 1.0 C C7 1 0.59990031 0.77787152 0.79005778 1.0 C C8 1 0.87203580 0.05542123 0.64776887 1.0 C C9 1 0.55403347 0.45016640 0.65515079 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.91156663, 0.77550913, 0.07604543 ], [ 0.26333928, 0.38654629, 0.86834685 ], [ 0.25145663, 0.79871157, 0.36158867 ], [ 0.98199905, 0.02598936, 0.15108313 ], [ 0.56945896, 0.41134833, 0.35420675 ], [ 0.33541824, 0.63721874, 0.94266965 ], [ 0.52359212, 0.2185502, 0.21929976 ], [ 0.72264368, 0.19406888, 0.79980633 ], [ 0.99453805, 0.61372146, 0.65761549 ], [ 0.67787287, 0.0014690500000000828, 0.66446364 ] ]
[ [ 3.1356219253254323, 0, 1.33289699790285 ], [ 0.22325973020354578, 2.801452675229988, 2.6858264125248645 ], [ 0, 0, 6.40765 ] ]
[ true, true, true ]
C-136247-3248-5
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48822000 _cell_length_b 2.48758000 _cell_length_c 6.57657000 _cell_angle_alpha 100.91173000 _cell_angle_beta 67.75512000 _cell_angle_gamma 120.03645000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 32.61726727 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.78045333 0.98604904 0.76585942 1 C C1 1 0.03129011 0.98616225 0.51545813 1 C C2 1 0.78137728 0.31943038 0.43203923 1 C C3 1 0.78051183 0.65222662 1.09926512 1 C C4 1 0.03129989 0.31898234 0.18201079 1 C C5 1 1.03045306 0.65278957 0.84928022 1
-154.542444
227
227
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51664801 _cell_length_b 3.51664801 _cell_length_c 3.51664801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 43.48972923 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.75000000 0.25000000 0.25000000 1.0 C C1 1 0.50000000 0.00000000 0.00000000 1.0 C C2 1 0.75000000 0.75000000 0.75000000 1.0 C C3 1 0.50000000 0.50000000 0.50000000 1.0 C C4 1 0.25000000 0.25000000 0.75000000 1.0 C C5 1 0.00000000 0.00000000 0.50000000 1.0 C C6 1 0.25000000 0.75000000 0.25000000 1.0 C C7 1 0.00000000 0.50000000 0.00000000 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.78045333, 0.98604904, 0.76585942 ], [ 0.03129011, 0.98616225, 0.51545813 ], [ 0.78137728, 0.31943038, 0.43203923 ], [ 0.78051183, 0.65222662, 0.0992651200000001 ], [ 0.03129989, 0.31898234, 0.18201079 ], [ 0.03045305999999992, 0.65278957, 0.84928022 ] ]
[ [ 2.3030325760321912, 0, 0.941955265463562 ], [ -1.1526867926037068, 2.1535157092713595, -0.4708901193255704 ], [ 0, 0, 6.57657 ] ]
[ true, true, true ]
C-34649-5321-33
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46609000 _cell_length_b 3.31137000 _cell_length_c 6.68221000 _cell_angle_alpha 73.40150000 _cell_angle_beta 75.91893000 _cell_angle_gamma 76.18333000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 49.87413118 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.12262096 0.36286061 0.87361634 1 C C1 1 0.54696199 0.63660608 0.87306984 1 C C2 1 0.51731176 0.76049861 0.08619223 1 C C3 1 0.07933267 0.25808872 0.37451099 1 C C4 1 0.94175633 1.03246688 0.08648340 1 C C5 1 0.64465038 0.32060859 0.24570966 1 C C6 1 0.41311871 1.07875589 0.71365493 1 C C7 1 -0.02409478 1.14539291 0.58489211 1
-154.179876
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62579138 _cell_length_b 12.57911642 _cell_length_c 2.46609000 _cell_angle_alpha 90.00000000 _cell_angle_beta 117.51920173 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 99.75048078 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.13687273 0.30206960 0.84877000 1.0 C C1 1 0.86312727 0.30206960 0.15123000 1.0 C C2 1 0.13687273 0.69793040 0.84877000 1.0 C C3 1 0.50000000 0.55162227 0.50000000 1.0 C C4 1 0.86312727 0.69793040 0.15123000 1.0 C C5 1 0.50000000 0.61602294 0.00000000 1.0 C C6 1 0.50000000 0.38397706 0.00000000 1.0 C C7 1 0.50000000 0.44837773 0.50000000 1.0 C C8 1 0.63687273 0.80206960 0.84877000 1.0 C C9 1 0.36312727 0.80206960 0.15123000 1.0 C C10 1 0.63687273 0.19793040 0.84877000 1.0 C C11 1 0.00000000 0.05162227 0.50000000 1.0 C C12 1 0.36312727 0.19793040 0.15123000 1.0 C C13 1 0.00000000 0.11602294 0.00000000 1.0 C C14 1 0.00000000 0.88397706 0.00000000 1.0 C C15 1 0.00000000 0.94837773 0.50000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.12262096, 0.36286061, 0.87361634 ], [ 0.54696199, 0.63660608, 0.87306984 ], [ 0.51731176, 0.76049861, 0.08619223 ], [ 0.07933267, 0.25808872, 0.37451099 ], [ 0.94175633, 0.03246688000000009, 0.0864834 ], [ 0.64465038, 0.32060859, 0.24570966 ], [ 0.41311871, 0.07875589000000005, 0.71365493 ], [ 0.97590522, 0.14539291, 0.58489211 ] ]
[ [ 2.3919900386878283, 0, 0.5999862856084301 ], [ 0.5780353882353801, 3.1202964470477945, 0.9459368104627734 ], [ 0, 0, 6.68221 ] ]
[ true, true, true ]
C-107774-3668-41
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26931000 _cell_length_b 3.70052000 _cell_length_c 4.28281000 _cell_angle_alpha 97.20094000 _cell_angle_beta 121.19400000 _cell_angle_gamma 103.68785000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 53.67607939 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.62170579 0.36616861 0.57267976 1 C C1 1 0.63177999 0.96755973 0.50170368 1 C C2 1 -0.03289686 -0.07839763 0.16220577 1 C C3 1 0.26637488 0.82033380 0.80110033 1 C C4 1 0.59948255 0.87960394 0.13280516 1 C C5 1 0.24482777 0.33780688 0.36121796 1 C C6 1 0.23580847 0.73718583 0.43314379 1 C C7 1 0.89969991 0.78192244 0.77232205 1
-154.084943
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70052000 _cell_length_b 4.19867439 _cell_length_c 4.26931000 _cell_angle_alpha 60.75749323 _cell_angle_beta 76.31215000 _cell_angle_gamma 68.37844015 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 53.67607939 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.01418087 0.39426910 0.91729189 1.0 C C1 1 0.61557198 0.46524518 0.83624161 1.0 C C2 1 0.56961463 0.80474309 0.16142055 1.0 C C3 1 0.46834606 0.16584853 0.50104337 1.0 C C4 1 0.53165394 0.83415147 0.49895663 1.0 C C5 1 0.98581913 0.60573090 0.08270811 1.0 C C6 1 0.38442802 0.53475482 0.16375839 1.0 C C7 1 0.43038537 0.19525691 0.83857945 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.62170579, 0.36616861, 0.57267976 ], [ 0.63177999, 0.96755973, 0.50170368 ], [ 0.96710314, 0.92160237, 0.16220577 ], [ 0.26637488, 0.8203338, 0.80110033 ], [ 0.59948255, 0.87960394, 0.13280516 ], [ 0.24482777, 0.33780688, 0.36121796 ], [ 0.23580847, 0.73718583, 0.43314379 ], [ 0.89969991, 0.78192244, 0.77232205 ] ]
[ [ 3.652046769606116, 0, -2.2112354620685544 ], [ -1.304521107304665, 3.431750043898308, -0.4638583697644925 ], [ 0, 0, 4.28281 ] ]
[ true, true, true ]
C-170888-2365-9
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48455000 _cell_length_b 4.67879000 _cell_length_c 4.08721000 _cell_angle_alpha 83.30655000 _cell_angle_beta 89.99693000 _cell_angle_gamma 74.53402000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.45604180 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.21102363 -0.08480357 -0.11378463 1 C C1 1 0.26879568 0.80115094 0.24197121 1 C C2 1 0.72455132 0.88715647 0.41274167 1 C C3 1 0.78408289 0.77074345 0.76840801 1 C C4 1 0.44157849 0.45929989 0.17484610 1 C C5 1 -0.05718825 0.45652274 0.94911640 1 C C6 1 0.05246479 0.22959246 0.70722278 1 C C7 1 0.55322754 0.22801992 0.48076607 1
-154.368085
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.01873875 _cell_length_b 2.48455000 _cell_length_c 4.08721000 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.94529280 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 90.91214916 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.21347037 0.00000000 0.05890368 1.0 C C1 1 0.27049311 0.00000000 0.41465952 1.0 C C2 1 0.22950689 0.50000000 0.58534048 1.0 C C3 1 0.28652963 0.50000000 0.94109632 1.0 C C4 1 0.44141864 0.00000000 0.34753441 1.0 C C5 1 0.44280721 0.50000000 0.12180471 1.0 C C6 1 0.55719279 0.50000000 0.87819529 1.0 C C7 1 0.55858136 0.00000000 0.65246559 1.0 C C8 1 0.71347037 0.50000000 0.05890368 1.0 C C9 1 0.77049311 0.50000000 0.41465952 1.0 C C10 1 0.72950689 0.00000000 0.58534048 1.0 C C11 1 0.78652963 0.00000000 0.94109632 1.0 C C12 1 0.94141864 0.50000000 0.34753441 1.0 C C13 1 0.94280721 0.00000000 0.12180471 1.0 C C14 1 0.05719279 0.00000000 0.87819529 1.0 C C15 1 0.05858136 0.50000000 0.65246559 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.2110236299999999, 0.91519643, 0.88621537 ], [ 0.26879568, 0.80115094, 0.24197121 ], [ 0.72455132, 0.88715647, 0.41274167 ], [ 0.78408289, 0.77074345, 0.76840801 ], [ 0.44157849, 0.45929989, 0.1748461 ], [ 0.94281175, 0.45652274, 0.9491164 ], [ 0.05246479, 0.22959246, 0.70722278 ], [ 0.55322754, 0.22801992, 0.48076607 ] ]
[ [ 2.4845499964334423, 0, 0.0001331261841823827 ], [ 1.247645757141297, 4.4762766846442625, 0.5453466524124763 ], [ 0, 0, 4.08721 ] ]
[ true, true, true ]
C-92154-4888-32
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45422000 _cell_length_b 5.63830000 _cell_length_c 4.13878000 _cell_angle_alpha 52.98936000 _cell_angle_beta 90.02830000 _cell_angle_gamma 77.63080000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 44.05120767 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.48769785 0.88434814 0.22452307 1 C C1 1 0.76763699 0.33237623 0.41335061 1 C C2 1 0.93442263 -0.00741930 0.63067771 1 C C3 1 1.02070142 0.81999422 0.09600244 1 C C4 1 0.19445709 0.48014747 0.31450692 1 C C5 1 0.46400482 0.93058774 0.49969546 1
-154.146226
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80047626 _cell_length_b 2.45422000 _cell_length_c 4.13878000 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.73607435 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 88.10315584 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.48815348 0.50000000 0.33929400 1.0 C C1 1 0.21216753 0.50000000 0.97614964 1.0 C C2 1 0.54226977 0.00000000 0.85368120 1.0 C C3 1 0.45773023 0.00000000 0.14631880 1.0 C C4 1 0.28783247 0.00000000 0.02385036 1.0 C C5 1 0.51184652 0.50000000 0.66070600 1.0 C C6 1 0.98815348 0.00000000 0.33929400 1.0 C C7 1 0.71216753 0.00000000 0.97614964 1.0 C C8 1 0.04226977 0.50000000 0.85368120 1.0 C C9 1 0.95773024 0.50000000 0.14631880 1.0 C C10 1 0.78783247 0.50000000 0.02385036 1.0 C C11 1 0.01184652 0.00000000 0.66070600 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.48769785, 0.88434814, 0.22452307 ], [ 0.76763699, 0.33237623, 0.41335061 ], [ 0.93442263, 0.9925807, 0.63067771 ], [ 0.02070141999999997, 0.81999422, 0.09600244 ], [ 0.19445709, 0.48014747, 0.31450692 ], [ 0.46400482, 0.93058774, 0.49969546 ] ]
[ [ 2.4542197006280593, 0, -0.0012122083644934654 ], [ 1.209458356925124, 4.336826414082886, 3.3940497973625794 ], [ 0, 0, 4.13878 ] ]
[ true, true, true ]
C-126143-7642-30
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47292000 _cell_length_b 5.58944000 _cell_length_c 7.05490000 _cell_angle_alpha 116.72940000 _cell_angle_beta 71.74514000 _cell_angle_gamma 109.97236000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 80.36267888 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.03768843 0.76091168 0.26223986 1 C C1 1 0.78047492 0.12665985 0.20962163 1 C C2 1 0.37736701 0.85817989 0.90456598 1 C C3 1 -0.08779028 0.21955642 0.69750898 1 C C4 1 0.20123780 0.78352497 0.58418349 1 C C5 1 0.86474391 0.71470849 0.78422139 1 C C6 1 0.23646849 0.51243609 0.41518875 1 C C7 1 0.21135175 0.95100729 0.14904531 1 C C8 1 0.13007466 0.28665658 1.05246899 1 C C9 1 0.65678280 0.17741447 0.91563183 1 C C10 1 0.55907103 0.36837473 0.66425887 1 C C11 1 0.35307340 0.57990538 0.21967591 1 C C12 1 0.84577873 0.91568838 0.53515832 1 C C13 1 0.65227370 0.35315486 0.43034239 1
-154.090516
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47292000 _cell_length_b 5.28343998 _cell_length_c 6.70500542 _cell_angle_alpha 112.69004674 _cell_angle_beta 87.75192351 _cell_angle_gamma 96.12522756 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 80.36267888 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.46363975 0.23908832 0.73776014 1.0 C C1 1 0.86343670 0.87334015 0.79037837 1.0 C C2 1 0.42375310 0.14182011 0.09543402 1.0 C C3 1 0.39016228 0.78044358 0.30249102 1.0 C C4 1 0.00189632 0.21647503 0.41581651 1.0 C C5 1 0.93425681 0.28529151 0.21577861 1.0 C C6 1 0.13922115 0.48756391 0.58481125 1.0 C C7 1 0.40938977 0.04899271 0.85095469 1.0 C C8 1 0.89588707 0.71334342 0.94753101 1.0 C C9 1 0.39500016 0.82258553 0.08436817 1.0 C C10 1 0.85495517 0.63162527 0.33574113 1.0 C C11 1 0.99284393 0.42009462 0.78032409 1.0 C C12 1 0.46524867 0.08431162 0.46484168 1.0 C C13 1 0.72946123 0.64684514 0.56965761 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
14
[ [ 0.96231157, 0.76091168, 0.26223986 ], [ 0.78047492, 0.12665985, 0.20962163 ], [ 0.37736701, 0.85817989, 0.90456598 ], [ 0.91220972, 0.21955642, 0.69750898 ], [ 0.2012378, 0.78352497, 0.58418349 ], [ 0.86474391, 0.71470849, 0.78422139 ], [ 0.23646849, 0.51243609, 0.41518875 ], [ 0.21135175, 0.95100729, 0.14904531 ], [ 0.13007466, 0.28665658, 0.05246898999999994 ], [ 0.6567828, 0.17741447, 0.91563183 ], [ 0.55907103, 0.36837473, 0.66425887 ], [ 0.3530734, 0.57990538, 0.21967591 ], [ 0.84577873, 0.91568838, 0.53515832 ], [ 0.6522737, 0.35315486, 0.43034239 ] ]
[ [ 2.348464265322693, 0, 0.7746282469045025 ], [ -1.1811119779295047, 4.850422692081118, -2.514003523731822 ], [ 0, 0, 7.0549 ] ]
[ true, true, true ]
C-72726-1363-12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68807000 _cell_length_b 2.48109000 _cell_length_c 4.22126000 _cell_angle_alpha 90.02065000 _cell_angle_beta 104.87696000 _cell_angle_gamma 70.36645000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.00422837 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.39230242 0.79908362 0.40595483 1 C C1 1 -0.00569822 0.99901341 0.48147008 1 C C2 1 0.83806904 0.57700618 0.61254860 1 C C3 1 0.90759471 0.54273825 -0.02241707 1 C C4 1 0.75017415 0.12159412 0.10804546 1 C C5 1 0.35327119 0.31885921 0.18423862 1
-154.311652
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94729812 _cell_length_b 2.48109000 _cell_length_c 4.22126000 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.81092562 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 70.00847017 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.24037218 0.50000000 0.38914190 1.0 C C1 1 0.93937250 0.00000000 0.31362665 1.0 C C2 1 0.01748887 0.50000000 0.18254813 1.0 C C3 1 0.98251113 0.50000000 0.81745187 1.0 C C4 1 0.06062750 0.00000000 0.68637335 1.0 C C5 1 0.25962782 0.00000000 0.61085810 1.0 C C6 1 0.74037218 0.00000000 0.38914190 1.0 C C7 1 0.43937250 0.50000000 0.31362665 1.0 C C8 1 0.51748887 0.00000000 0.18254813 1.0 C C9 1 0.48251113 0.00000000 0.81745187 1.0 C C10 1 0.56062750 0.50000000 0.68637335 1.0 C C11 1 0.75962782 0.50000000 0.61085810 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.39230242, 0.79908362, 0.40595483 ], [ 0.99430178, 0.99901341, 0.48147008 ], [ 0.83806904, 0.57700618, 0.6125486 ], [ 0.90759471, 0.54273825, 0.97758293 ], [ 0.75017415, 0.12159412, 0.10804546 ], [ 0.35327119, 0.31885921, 0.18423862 ] ]
[ [ 3.5644436822941823, 0, -0.9468904691954034 ], [ 0.8623302787917893, 2.326412104242462, -0.000894210844607348 ], [ 0, 0, 4.22126 ] ]
[ true, true, true ]
C-157691-3994-44
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47761000 _cell_length_b 2.47832000 _cell_length_c 6.31174000 _cell_angle_alpha 78.67376000 _cell_angle_beta 78.67958000 _cell_angle_gamma 59.97983000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 32.68325017 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.00827896 0.55041062 0.81198640 1 C C1 1 0.21370957 0.77527852 0.14246053 1 C C2 1 0.13002550 0.69249156 0.39354063 1 C C3 1 0.90865158 0.46899210 0.05907829 1 C C4 1 0.76971955 0.33040921 0.47779933 1 C C5 1 0.68690785 0.24465518 0.72881972 1
-154.527627
166
166
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47740979 _cell_length_b 2.47740979 _cell_length_c 18.44224726 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C18 _cell_volume 98.02574947 _cell_formula_units_Z 18 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.45869804 1.0 C C1 1 0.00000000 0.00000000 0.23552275 1.0 C C2 1 0.00000000 0.00000000 0.31921612 1.0 C C3 1 0.33333333 0.66666667 0.20796862 1.0 C C4 1 0.33333333 0.66666667 0.34745055 1.0 C C5 1 0.33333333 0.66666667 0.43114391 1.0 C C6 1 0.66666667 0.33333333 0.79203138 1.0 C C7 1 0.66666667 0.33333333 0.56885609 1.0 C C8 1 0.66666667 0.33333333 0.65254945 1.0 C C9 1 0.00000000 0.00000000 0.54130196 1.0 C C10 1 0.00000000 0.00000000 0.68078388 1.0 C C11 1 0.00000000 0.00000000 0.76447725 1.0 C C12 1 0.33333333 0.66666667 0.12536471 1.0 C C13 1 0.33333333 0.66666667 0.90218942 1.0 C C14 1 0.33333333 0.66666667 0.98588279 1.0 C C15 1 0.66666667 0.33333333 0.87463529 1.0 C C16 1 0.66666667 0.33333333 0.01411721 1.0 C C17 1 0.66666667 0.33333333 0.09781058 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.99172104, 0.55041062, 0.8119864 ], [ 0.21370957, 0.77527852, 0.14246053 ], [ 0.1300255, 0.69249156, 0.39354063 ], [ 0.90865158, 0.4689921, 0.05907829 ], [ 0.76971955, 0.33040921, 0.47779933 ], [ 0.68690785, 0.24465518, 0.72881972 ] ]
[ [ 2.4294075072891737, 0, 0.48634398899030673 ], [ 1.1670782665772348, 2.1314530378833756, 0.4867302018375348 ], [ 0, 0, 6.31174 ] ]
[ true, true, true ]
C-92142-9665-21
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48524000 _cell_length_b 3.85917000 _cell_length_c 6.75865000 _cell_angle_alpha 73.40616000 _cell_angle_beta 100.61497000 _cell_angle_gamma 89.99503000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 60.96364605 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.88090209 0.43385684 0.57264358 1 C C1 1 0.30477455 0.00965782 0.42225723 1 C C2 1 0.51262745 0.08444472 0.82152408 1 C C3 1 0.60158569 0.72683063 -0.00246206 1 C C4 1 0.38096268 0.21578788 0.57259770 1 C C5 1 0.01234833 0.31721926 0.82134372 1 C C6 1 0.68899965 0.90900326 0.17362102 1 C C7 1 0.18888818 0.14054520 0.17378792 1 C C8 1 0.80491326 0.79032136 0.42227249 1 C C9 1 1.10139602 0.49888472 0.99751263 1
-154.11295
74
74
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48524000 _cell_length_b 3.85917000 _cell_length_c 12.71272705 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 121.92730307 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50000000 0.35966060 0.53729268 1.0 C C1 1 0.00000000 0.85966060 0.46270732 1.0 C C2 1 0.00000000 0.13468873 0.66173293 1.0 C C3 1 0.00000000 0.86508157 0.75000000 1.0 C C4 1 0.00000000 0.14033940 0.53729268 1.0 C C5 1 0.50000000 0.36531127 0.66173293 1.0 C C6 1 0.50000000 0.63468873 0.33826707 1.0 C C7 1 0.00000000 0.86531127 0.33826707 1.0 C C8 1 0.50000000 0.64033940 0.46270732 1.0 C C9 1 0.50000000 0.63491843 0.75000000 1.0 C C10 1 0.00000000 0.85966060 0.03729268 1.0 C C11 1 0.50000000 0.35966060 0.96270732 1.0 C C12 1 0.50000000 0.63468873 0.16173293 1.0 C C13 1 0.50000000 0.36508157 0.25000000 1.0 C C14 1 0.50000000 0.64033940 0.03729268 1.0 C C15 1 0.00000000 0.86531127 0.16173293 1.0 C C16 1 0.00000000 0.13468873 0.83826707 1.0 C C17 1 0.50000000 0.36531127 0.83826707 1.0 C C18 1 0.00000000 0.14033940 0.96270732 1.0 C C19 1 0.00000000 0.13491843 0.25000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.88090209, 0.43385684, 0.57264358 ], [ 0.30477455, 0.00965782, 0.42225723 ], [ 0.51262745, 0.08444472, 0.82152408 ], [ 0.60158569, 0.72683063, 0.99753794 ], [ 0.38096268, 0.21578788, 0.5725977 ], [ 0.01234833, 0.31721926, 0.82134372 ], [ 0.68899965, 0.90900326, 0.17362102 ], [ 0.18888818, 0.1405452, 0.17378792 ], [ 0.80491326, 0.79032136, 0.42227249 ], [ 0.10139601999999992, 0.49888472, 0.99751263 ] ]
[ [ 2.442710718051791, 0, -0.4578014913856283 ], [ 0.2068952338656695, 3.6926567355493365, 1.1021223545985213 ], [ 0, 0, 6.75865 ] ]
[ true, true, true ]
C-130501-2246-34
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25802000 _cell_length_b 5.59112000 _cell_length_c 4.59130000 _cell_angle_alpha 103.37164000 _cell_angle_beta 113.24785000 _cell_angle_gamma 56.20320000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 63.85135683 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.78807856 0.43768016 0.52256265 1 C C1 1 0.34414436 0.90403760 0.52854966 1 C C2 1 0.06001808 0.17078119 0.69924600 1 C C3 1 0.22575147 0.66949414 0.50538413 1 C C4 1 0.93642819 0.67281561 0.67884251 1 C C5 1 0.75241725 0.43730186 0.16339049 1 C C6 1 0.30908678 0.90391401 0.17049561 1 C C7 1 0.03580756 0.17022318 0.99198639 1 C C8 1 0.87120198 0.67227836 0.18807375 1 C C9 1 0.16025626 0.66951948 1.01493371 1
-154.068426
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25802000 _cell_length_b 4.45939147 _cell_length_c 4.64866299 _cell_angle_alpha 88.57779347 _cell_angle_beta 88.17600413 _cell_angle_gamma 71.08212356 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 63.85135683 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.33034544 0.17603352 0.23311693 1.0 C C1 1 0.34678168 0.18202053 0.76675949 1.0 C C2 1 0.15870264 0.35271687 0.50001590 1.0 C C3 1 0.01701085 0.15885500 0.00130295 1.0 C C4 1 0.55755067 0.33231338 0.99798148 1.0 C C5 1 0.65321832 0.81797947 0.23324051 1.0 C C6 1 0.66965456 0.82396648 0.76688307 1.0 C C7 1 0.84129736 0.64728313 0.49998410 1.0 C C8 1 0.98298915 0.84114500 0.99869705 1.0 C C9 1 0.44244933 0.66768662 0.00201852 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.78807856, 0.43768016, 0.52256265 ], [ 0.34414436, 0.9040376, 0.52854966 ], [ 0.06001808, 0.17078119, 0.699246 ], [ 0.22575147, 0.66949414, 0.50538413 ], [ 0.93642819, 0.67281561, 0.67884251 ], [ 0.75241725, 0.43730186, 0.16339049 ], [ 0.30908678, 0.90391401, 0.17049561 ], [ 0.03580756, 0.17022318, 0.99198639 ], [ 0.87120198, 0.67227836, 0.18807375 ], [ 0.16025626, 0.66951948, 0.014933709999999989 ] ]
[ [ 2.9934883961190293, 0, -1.2859710504909208 ], [ 2.829413105582676, 4.645761177833943, -1.2930380546944376 ], [ 0, 0, 4.5913 ] ]
[ true, true, true ]
C-137397-5627-41
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45919000 _cell_length_b 6.74434000 _cell_length_c 7.08532000 _cell_angle_alpha 63.97833000 _cell_angle_beta 98.13065000 _cell_angle_gamma 86.05335000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C18 _cell_volume 103.40274279 _cell_formula_units_Z 18 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.89423599 0.09688100 0.14919105 1 C C1 1 0.53540112 0.76825678 0.13549550 1 C C2 1 0.23249067 0.14283200 0.82583276 1 C C3 1 0.72150605 0.61838062 0.88272769 1 C C4 1 0.53124028 0.27540572 0.48121644 1 C C5 1 -0.23775755 0.21230438 0.91006038 1 C C6 1 0.35152256 0.39429629 1.23094931 1 C C7 1 0.53530950 0.04550393 0.47971512 1 C C8 1 0.40742073 0.15829357 0.23522062 1 C C9 1 0.06484808 0.74042264 0.46749633 1 C C10 1 0.08612395 0.90002140 0.56178590 1 C C11 1 0.30434735 0.90582921 0.90818128 1 C C12 1 0.11313059 0.50990168 0.63102308 1 C C13 1 0.68747518 0.46297942 0.78128127 1 C C14 1 0.18475716 0.77002087 0.80068587 1 C C15 1 1.08666818 0.30679535 0.58753386 1 C C16 1 0.76490049 0.53329909 0.12967329 1 C C17 1 0.01684406 0.83299414 0.23467636 1
-154.175969
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45919000 _cell_length_b 6.74434000 _cell_length_c 7.08532000 _cell_angle_alpha 116.02167000 _cell_angle_beta 98.13065000 _cell_angle_gamma 93.94665000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C18 _cell_volume 103.40274279 _cell_formula_units_Z 18 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.10576401 0.09688100 0.85080895 1.0 C C1 1 0.46459888 0.76825678 0.86450450 1.0 C C2 1 0.76750933 0.14283200 0.17416724 1.0 C C3 1 0.27849395 0.61838062 0.11727231 1.0 C C4 1 0.46875972 0.27540572 0.51878356 1.0 C C5 1 0.23775755 0.21230438 0.08993962 1.0 C C6 1 0.64847744 0.39429629 0.76905069 1.0 C C7 1 0.46469050 0.04550393 0.52028488 1.0 C C8 1 0.59257927 0.15829357 0.76477938 1.0 C C9 1 0.93515192 0.74042264 0.53250367 1.0 C C10 1 0.91387605 0.90002140 0.43821410 1.0 C C11 1 0.69565265 0.90582921 0.09181872 1.0 C C12 1 0.88686941 0.50990168 0.36897692 1.0 C C13 1 0.31252482 0.46297942 0.21871873 1.0 C C14 1 0.81524284 0.77002087 0.19931413 1.0 C C15 1 0.91333182 0.30679535 0.41246614 1.0 C C16 1 0.23509951 0.53329909 0.87032671 1.0 C C17 1 0.98315594 0.83299414 0.76532364 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
18
[ [ 0.89423599, 0.096881, 0.14919105 ], [ 0.53540112, 0.76825678, 0.1354955 ], [ 0.23249067, 0.142832, 0.82583276 ], [ 0.72150605, 0.61838062, 0.88272769 ], [ 0.53124028, 0.27540572, 0.48121644 ], [ 0.76224245, 0.21230438, 0.91006038 ], [ 0.35152256, 0.39429629, 0.23094930999999996 ], [ 0.5353095, 0.04550393, 0.47971512 ], [ 0.40742073, 0.15829357, 0.23522062 ], [ 0.06484808, 0.74042264, 0.46749633 ], [ 0.08612395, 0.9000214, 0.5617859 ], [ 0.30434735, 0.90582921, 0.90818128 ], [ 0.11313059, 0.50990168, 0.63102308 ], [ 0.68747518, 0.46297942, 0.78128127 ], [ 0.18475716, 0.77002087, 0.80068587 ], [ 0.08666817999999998, 0.30679535, 0.58753386 ], [ 0.76490049, 0.53329909, 0.12967329 ], [ 0.01684406, 0.83299414, 0.23467636 ] ]
[ [ 2.4344705710275902, 0, -0.3478052542739965 ], [ 0.891626936927098, 5.994708368705734, 2.9588164889217867 ], [ 0, 0, 7.08532 ] ]
[ true, true, true ]
C-130505-1819-18
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42993000 _cell_length_b 3.18139000 _cell_length_c 6.63628000 _cell_angle_alpha 59.14182000 _cell_angle_beta 100.16745000 _cell_angle_gamma 89.57384000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.05574898 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.34641060 0.30203926 0.26587242 1 C C1 1 1.01289828 0.63506875 0.59906818 1 C C2 1 0.56754167 0.41345534 0.71041695 1 C C3 1 0.23439826 0.74700656 1.04402175 1 C C4 1 0.67955401 -0.03151195 0.93226762 1 C C5 1 0.90105399 1.08042586 0.37722119 1
-154.448701
166
166
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42691234 _cell_length_b 2.42691234 _cell_length_c 8.43843268 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.04280862 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.16690288 1.0 C C1 1 0.66666667 0.33333333 0.16643045 1.0 C C2 1 0.66666667 0.33333333 0.50023622 1.0 C C3 1 0.33333333 0.66666667 0.49976378 1.0 C C4 1 0.33333333 0.66666667 0.83356955 1.0 C C5 1 0.00000000 0.00000000 0.83309712 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.3464106, 0.30203926, 0.26587242 ], [ 0.012898279999999929, 0.63506875, 0.59906818 ], [ 0.56754167, 0.41345534, 0.71041695 ], [ 0.23439826, 0.74700656, 0.04402174999999997 ], [ 0.67955401, 0.96848805, 0.93226762 ], [ 0.90105399, 0.08042586000000007, 0.37722119 ] ]
[ [ 2.3917705051770666, 0, -0.4289448163400987 ], [ 0.3166871509162498, 2.712607391797163, 1.631782068326509 ], [ 0, 0, 6.63628 ] ]
[ true, true, true ]
C-40106-2927-39
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45032000 _cell_length_b 5.45064000 _cell_length_c 5.45024000 _cell_angle_alpha 126.55236000 _cell_angle_beta 90.00556000 _cell_angle_gamma 89.99882000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.47506225 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.63594346 0.19372815 0.14547435 1 C C1 1 0.63590960 0.66172141 0.61359392 1 C C2 1 0.63583900 1.00532677 0.80196277 1 C C3 1 0.63590608 0.53009761 0.27735610 1 C C4 1 1.13597156 1.17885893 0.30226326 1 C C5 1 0.13593118 0.62399611 0.18277792 1 C C6 1 0.13593207 0.50474861 0.62812915 1 C C7 1 0.13575311 0.95832140 0.37361181 1 C C8 1 0.13577585 0.10165091 0.70523536 1 C C9 1 0.13578538 0.43313140 0.84841637 1
-154.21764
38
38
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90202075 _cell_length_b 9.73649719 _cell_length_c 2.45032000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 116.95012566 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.76594021 0.57221206 0.50000000 1.0 C C1 1 0.23405979 0.57221206 0.50000000 1.0 C C2 1 0.50000000 0.49465697 0.50000000 1.0 C C3 1 0.00000000 0.46996821 0.50000000 1.0 C C4 1 0.33690006 0.15804113 0.00000000 1.0 C C5 1 0.00000000 0.37572987 0.00000000 1.0 C C6 1 0.66309994 0.15804113 0.00000000 1.0 C C7 1 0.26230557 0.30398417 0.00000000 1.0 C C8 1 0.50000000 0.39813119 0.00000000 1.0 C C9 1 0.73769443 0.30398417 0.00000000 1.0 C C10 1 0.26594021 0.07221206 0.50000000 1.0 C C11 1 0.73405979 0.07221206 0.50000000 1.0 C C12 1 0.00000000 0.99465697 0.50000000 1.0 C C13 1 0.50000000 0.96996821 0.50000000 1.0 C C14 1 0.83690006 0.65804113 0.00000000 1.0 C C15 1 0.50000000 0.87572987 0.00000000 1.0 C C16 1 0.16309994 0.65804113 0.00000000 1.0 C C17 1 0.76230557 0.80398417 0.00000000 1.0 C C18 1 0.00000000 0.89813119 0.00000000 1.0 C C19 1 0.23769443 0.80398417 0.00000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.63594346, 0.19372815, 0.14547435 ], [ 0.6359096, 0.66172141, 0.61359392 ], [ 0.635839, 0.005326769999999925, 0.80196277 ], [ 0.63590608, 0.53009761, 0.2773561 ], [ 0.13597156, 0.17885893000000008, 0.30226326 ], [ 0.13593118, 0.62399611, 0.18277792 ], [ 0.13593207, 0.50474861, 0.62812915 ], [ 0.13575311, 0.9583214, 0.37361181 ], [ 0.13577585, 0.10165091, 0.70523536 ], [ 0.13578538, 0.4331314, 0.84841637 ] ]
[ [ 2.4503199884628875, 0, -0.00023777980323139205 ], [ -0.00020275379454076314, 4.378569658273595, -3.246167604443238 ], [ 0, 0, 5.45024 ] ]
[ true, true, true ]
C-193952-2283-36
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60427000 _cell_length_b 4.87266000 _cell_length_c 5.43544000 _cell_angle_alpha 85.49507000 _cell_angle_beta 68.66432000 _cell_angle_gamma 76.56795000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 86.48285399 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.06874548 0.80665681 0.16301900 1 C C1 1 0.73595094 0.82794038 0.47128312 1 C C2 1 0.93046460 0.38343458 0.65416374 1 C C3 1 0.93905475 0.61506260 0.03585681 1 C C4 1 0.10965802 0.60280278 0.74517240 1 C C5 1 0.36664410 -0.04481022 0.41034933 1 C C6 1 0.98207384 0.88798891 0.62863996 1 C C7 1 0.91258299 0.12152336 0.81140697 1 C C8 1 0.23555158 0.27081061 0.37159100 1 C C9 1 0.46407189 0.72210078 0.19894076 1 C C10 1 0.54480426 0.43954369 0.34358389 1 C C11 1 -0.00895958 0.33023435 0.17620523 1 C C12 1 1.01490392 0.08560421 0.02832940 1 C C13 1 0.57402809 0.54544985 0.58782879 1
-154.100946
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60427000 _cell_length_b 4.87266000 _cell_length_c 5.31782667 _cell_angle_alpha 85.57472728 _cell_angle_beta 72.18809684 _cell_angle_gamma 76.56795000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 86.48285399 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.76823552 0.19334319 0.16301900 1.0 C C1 1 0.79276594 0.17205962 0.47128312 1.0 C C2 1 0.41537166 0.61656542 0.65416374 1.0 C C3 1 0.02508844 0.38493740 0.03585681 1.0 C C4 1 0.14516958 0.39719722 0.74517240 1.0 C C5 1 0.22300657 0.04481022 0.41034933 1.0 C C6 1 0.38928620 0.11201109 0.62863996 1.0 C C7 1 0.27601004 0.87847664 0.81140697 1.0 C C8 1 0.39285742 0.72918939 0.37159100 1.0 C C9 1 0.33698735 0.27789922 0.19894076 1.0 C C10 1 0.11161185 0.56045631 0.34358389 1.0 C C11 1 0.83275435 0.66976565 0.17620523 1.0 C C12 1 0.95676668 0.91439579 0.02832940 1.0 C C13 1 0.83814312 0.45455015 0.58782879 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
14
[ [ 0.06874548, 0.80665681, 0.163019 ], [ 0.73595094, 0.82794038, 0.47128312 ], [ 0.9304646, 0.38343458, 0.65416374 ], [ 0.93905475, 0.6150626, 0.03585681 ], [ 0.10965802, 0.60280278, 0.7451724 ], [ 0.3666441, 0.95518978, 0.41034933 ], [ 0.98207384, 0.88798891, 0.62863996 ], [ 0.91258299, 0.12152336, 0.81140697 ], [ 0.23555158, 0.27081061, 0.371591 ], [ 0.46407189, 0.72210078, 0.19894076 ], [ 0.54480426, 0.43954369, 0.34358389 ], [ 0.99104042, 0.33023435, 0.17620523 ], [ 0.01490392000000007, 0.08560421, 0.0283294 ], [ 0.57402809, 0.54544985, 0.58782879 ] ]
[ [ 3.357250772540708, 0, 1.311346439036924 ], [ 1.0656694080926574, 4.739270798237842, 0.3827224702385324 ], [ 0, 0, 5.43544 ] ]
[ true, true, true ]
C-193944-7687-5
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47223000 _cell_length_b 3.23127000 _cell_length_c 5.74641000 _cell_angle_alpha 79.99133000 _cell_angle_beta 64.50526000 _cell_angle_gamma 67.50750000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 38.28060973 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.47708319 0.33863421 0.96753851 1 C C1 1 -0.12402119 0.98033363 0.74875321 1 C C2 1 0.78824907 -0.02656718 0.33963872 1 C C3 1 0.83857864 0.61521198 -0.03174229 1 C C4 1 0.52933015 0.97982099 0.59587495 1 C C5 1 0.44141814 0.97298146 0.18667110 1
-154.258689
65
65
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47223000 _cell_length_b 5.97093211 _cell_length_c 5.18685233 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 76.56581145 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.18060379 0.00000000 1.0 C C1 1 0.50000000 0.50000000 0.78085510 1.0 C C2 1 0.00000000 0.50000000 0.37174061 1.0 C C3 1 0.50000000 0.31939621 0.00000000 1.0 C C4 1 0.00000000 0.50000000 0.62825939 1.0 C C5 1 0.50000000 0.50000000 0.21914490 1.0 C C6 1 0.50000000 0.68060379 0.00000000 1.0 C C7 1 0.00000000 0.00000000 0.78085510 1.0 C C8 1 0.50000000 0.00000000 0.37174061 1.0 C C9 1 0.00000000 0.81939621 0.00000000 1.0 C C10 1 0.50000000 0.00000000 0.62825939 1.0 C C11 1 0.00000000 0.00000000 0.21914490 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.47708319, 0.33863421, 0.96753851 ], [ 0.87597881, 0.98033363, 0.74875321 ], [ 0.78824907, 0.97343282, 0.33963872 ], [ 0.83857864, 0.61521198, 0.96825771 ], [ 0.52933015, 0.97982099, 0.59587495 ], [ 0.44141814, 0.97298146, 0.1866711 ] ]
[ [ 2.231496117522216, 0, 1.064117592366218 ], [ 1.1017206457856903, 2.9852870831480094, 0.5615856682103011 ], [ 0, 0, 5.74641 ] ]
[ true, true, true ]
C-57131-7379-8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.61167000 _cell_length_b 2.42894000 _cell_length_c 8.96892000 _cell_angle_alpha 97.42700000 _cell_angle_beta 71.07079000 _cell_angle_gamma 88.99516000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 53.25937997 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.82297208 0.04430942 0.55195897 1 C C1 1 0.53646061 0.13039732 0.71767795 1 C C2 1 0.40309540 0.67213762 0.79849588 1 C C3 1 0.36660823 0.87867827 0.22398843 1 C C4 1 0.58815285 0.79397925 0.05005452 1 C C5 1 -0.03676869 0.50380309 0.47144747 1 C C6 1 0.23950378 1.41959584 0.30514603 1 C C7 1 1.17446493 -0.24013730 0.97246456 1
-154.12085
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.80626822 _cell_length_b 2.42894000 _cell_length_c 2.61167000 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.17656213 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 106.53515368 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.22999742 0.50000000 0.47012614 1.0 C C1 1 0.14713793 0.50000000 0.34933364 1.0 C C2 1 0.10672896 0.00000000 0.29678636 1.0 C C3 1 0.39327104 0.50000000 0.70321364 1.0 C C4 1 0.48094964 0.50000000 0.73340246 1.0 C C5 1 0.27000258 0.00000000 0.52987386 1.0 C C6 1 0.35286207 0.00000000 0.65066636 1.0 C C7 1 0.01905036 0.00000000 0.26659754 1.0 C C8 1 0.72999742 0.00000000 0.47012614 1.0 C C9 1 0.64713793 0.00000000 0.34933364 1.0 C C10 1 0.60672896 0.50000000 0.29678636 1.0 C C11 1 0.89327104 0.00000000 0.70321364 1.0 C C12 1 0.98094964 0.00000000 0.73340246 1.0 C C13 1 0.77000258 0.50000000 0.52987386 1.0 C C14 1 0.85286207 0.50000000 0.65066636 1.0 C C15 1 0.51905036 0.50000000 0.26659754 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.82297208, 0.04430942, 0.55195897 ], [ 0.53646061, 0.13039732, 0.71767795 ], [ 0.4030954, 0.67213762, 0.79849588 ], [ 0.36660823, 0.87867827, 0.22398843 ], [ 0.58815285, 0.79397925, 0.05005452 ], [ 0.96323131, 0.50380309, 0.47144747 ], [ 0.23950378, 0.41959583999999994, 0.30514603 ], [ 0.17446493000000007, 0.7598627, 0.97246456 ] ]
[ [ 2.4704311458176442, 0, 0.8472249657995929 ], [ 0.15270672761987672, 2.403716263543346, -0.31397181930364737 ], [ 0, 0, 8.96892 ] ]
[ true, true, true ]
C-170342-4227-24
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46566000 _cell_length_b 3.38781000 _cell_length_c 5.26540000 _cell_angle_alpha 88.14917000 _cell_angle_beta 90.02091000 _cell_angle_gamma 68.69623000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 40.95257135 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.38943732 0.20251146 0.84818795 1 C C1 1 0.20750910 0.56942697 0.04748616 1 C C2 1 0.24374012 0.49787389 0.32223937 1 C C3 1 0.61614368 0.75235107 0.92150954 1 C C4 1 0.79767059 0.38640350 0.72323381 1 C C5 1 0.76347000 0.45894401 0.44842897 1
-154.164404
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31262502 _cell_length_b 2.46566000 _cell_length_c 5.26540000 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.99480258 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 81.90516391 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.38664682 0.50000000 0.96333921 1.0 C C1 1 0.20318907 0.50000000 0.16263741 1.0 C C2 1 0.23896561 0.50000000 0.43739062 1.0 C C3 1 0.11335318 0.00000000 0.03666079 1.0 C C4 1 0.29681093 0.00000000 0.83736259 1.0 C C5 1 0.26103439 0.00000000 0.56260938 1.0 C C6 1 0.88664682 0.00000000 0.96333921 1.0 C C7 1 0.70318907 0.00000000 0.16263741 1.0 C C8 1 0.73896561 0.00000000 0.43739062 1.0 C C9 1 0.61335318 0.50000000 0.03666079 1.0 C C10 1 0.79681093 0.50000000 0.83736259 1.0 C C11 1 0.76103439 0.50000000 0.56260938 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.38943732, 0.20251146, 0.84818795 ], [ 0.2075091, 0.56942697, 0.04748616 ], [ 0.24374012, 0.49787389, 0.32223937 ], [ 0.61614368, 0.75235107, 0.92150954 ], [ 0.79767059, 0.3864035, 0.72323381 ], [ 0.76347, 0.45894401, 0.44842897 ] ]
[ [ 2.465659835802708, 0, -0.0008998385202832549 ], [ 1.2308738494234117, 3.154399140763681, 0.10941765696150454 ], [ 0, 0, 5.2654 ] ]
[ true, true, true ]
C-189726-6424-36
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51621000 _cell_length_b 4.78243000 _cell_length_c 5.08743000 _cell_angle_alpha 91.15624000 _cell_angle_beta 89.59165000 _cell_angle_gamma 78.72657000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 60.02282080 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.40987739 0.65892329 0.91678373 1 C C1 1 0.26896674 0.12770918 0.66392063 1 C C2 1 0.33396988 0.37658860 0.50656782 1 C C3 1 0.77365026 0.94679099 0.28957685 1 C C4 1 0.55614366 0.26633791 0.26357203 1 C C5 1 0.76662833 0.11290492 0.83601291 1 C C6 1 0.36897505 0.63285028 0.61919778 1 C C7 1 0.58228414 0.36313448 1.01828870 1 C C8 1 0.30766967 -0.11117126 0.45929470 1 C C9 1 0.84902937 0.83580751 1.00127005 1
-154.08248
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51621000 _cell_length_b 4.78243000 _cell_length_c 5.08743000 _cell_angle_alpha 91.15624000 _cell_angle_beta 90.40835000 _cell_angle_gamma 101.27343000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 60.02282080 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.40987739 0.34107671 0.08321627 1.0 C C1 1 0.26896674 0.87229082 0.33607937 1.0 C C2 1 0.33396988 0.62341140 0.49343218 1.0 C C3 1 0.77365026 0.05320901 0.71042315 1.0 C C4 1 0.55614366 0.73366209 0.73642797 1.0 C C5 1 0.76662833 0.88709508 0.16398709 1.0 C C6 1 0.36897505 0.36714972 0.38080222 1.0 C C7 1 0.58228414 0.63686552 0.98171130 1.0 C C8 1 0.30766967 0.11117126 0.54070530 1.0 C C9 1 0.84902937 0.16419249 0.99872995 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.40987739, 0.65892329, 0.91678373 ], [ 0.26896674, 0.12770918, 0.66392063 ], [ 0.33396988, 0.3765886, 0.50656782 ], [ 0.77365026, 0.94679099, 0.28957685 ], [ 0.55614366, 0.26633791, 0.26357203 ], [ 0.76662833, 0.11290492, 0.83601291 ], [ 0.36897505, 0.63285028, 0.61919778 ], [ 0.58228414, 0.36313448, 0.018288700000000047 ], [ 0.30766967, 0.88882874, 0.4592947 ], [ 0.84902937, 0.83580751, 0.0012700500000000225 ] ]
[ [ 2.516146094990309, 0, 0.017933007695859673 ], [ 0.9356353795037455, 4.689020169968512, -0.09650381935106757 ], [ 0, 0, 5.08743 ] ]
[ true, true, true ]
C-41266-1576-46
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47270000 _cell_length_b 3.23192000 _cell_length_c 6.08386000 _cell_angle_alpha 111.52816000 _cell_angle_beta 101.71007000 _cell_angle_gamma 112.55464000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 38.27980879 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.11644726 0.77533686 0.21083646 1 C C1 1 0.51274778 0.34942786 0.42937372 1 C C2 1 0.15170697 0.62773524 0.42981418 1 C C3 1 0.20203091 0.35486657 0.80169851 1 C C4 1 0.46305411 0.62209532 0.05770150 1 C C5 1 0.54921005 0.20214646 0.64882453 1
-154.252664
65
65
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47270000 _cell_length_b 5.96945146 _cell_length_c 5.18702247 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 76.56388873 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50000000 0.00000000 0.78100596 1.0 C C1 1 0.50000000 0.18075347 0.00000000 1.0 C C2 1 0.50000000 0.81924653 0.00000000 1.0 C C3 1 0.00000000 0.00000000 0.37186801 1.0 C C4 1 0.00000000 0.00000000 0.62813199 1.0 C C5 1 0.50000000 0.00000000 0.21899404 1.0 C C6 1 0.00000000 0.50000000 0.78100596 1.0 C C7 1 0.00000000 0.68075347 0.00000000 1.0 C C8 1 0.00000000 0.31924653 0.00000000 1.0 C C9 1 0.50000000 0.50000000 0.37186801 1.0 C C10 1 0.50000000 0.50000000 0.62813199 1.0 C C11 1 0.00000000 0.50000000 0.21899404 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.11644725999999994, 0.77533686, 0.21083646 ], [ 0.51274778, 0.34942786, 0.42937372 ], [ 0.15170697, 0.62773524, 0.42981418 ], [ 0.20203091, 0.35486657, 0.80169851 ], [ 0.46305411, 0.62209532, 0.0577015 ], [ 0.54921005, 0.20214646, 0.64882453 ] ]
[ [ 2.421236077393876, 0, -0.5018576964900665 ], [ -1.5118203277191065, 2.5986836364194117, -1.1859804133716878 ], [ 0, 0, 6.08386 ] ]
[ true, true, true ]
C-27857-3804-2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43310000 _cell_length_b 3.27115000 _cell_length_c 9.46277000 _cell_angle_alpha 85.57998000 _cell_angle_beta 92.39257000 _cell_angle_gamma 100.46295000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C18 _cell_volume 104.14913768 _cell_formula_units_Z 18 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.34407783 0.57840024 0.86999577 1 C C1 1 0.58743993 0.33660873 0.63759829 1 C C2 1 0.66296365 0.02309947 0.26431748 1 C C3 1 0.99389346 0.64694842 0.93156677 1 C C4 1 0.23118596 0.40608399 0.72271236 1 C C5 1 0.17830966 0.48860502 0.41008771 1 C C6 1 1.06306356 0.95701959 0.04553196 1 C C7 1 0.86142640 0.05061383 0.71492868 1 C C8 1 0.78278702 0.20217083 0.96889140 1 C C9 1 0.81188706 0.13074913 0.41075872 1 C C10 1 -0.06846036 0.77405291 0.18696728 1 C C11 1 0.09216267 0.84286562 0.49101161 1 C C12 1 0.45387665 0.20945072 0.49158343 1 C C13 1 0.56580542 0.41531053 0.17912757 1 C C14 1 0.43266008 0.27135152 0.03032361 1 C C15 1 0.71228556 0.89288836 0.85588648 1 C C16 1 -0.04934601 0.69731230 0.63690553 1 C C17 1 0.30187218 0.65742778 0.26366775 1
-154.152507
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27115000 _cell_length_b 3.43310000 _cell_length_c 9.46277000 _cell_angle_alpha 87.60743000 _cell_angle_beta 85.57998000 _cell_angle_gamma 79.53705000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C18 _cell_volume 104.14913768 _cell_formula_units_Z 18 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.57840024 0.65592217 0.86999577 1.0 C C1 1 0.33660873 0.41256007 0.63759829 1.0 C C2 1 0.02309947 0.33703635 0.26431748 1.0 C C3 1 0.64694842 0.00610654 0.93156677 1.0 C C4 1 0.40608399 0.76881404 0.72271236 1.0 C C5 1 0.48860502 0.82169034 0.41008771 1.0 C C6 1 0.95701959 0.93693644 0.04553196 1.0 C C7 1 0.05061383 0.13857360 0.71492868 1.0 C C8 1 0.20217083 0.21721298 0.96889140 1.0 C C9 1 0.13074913 0.18811294 0.41075872 1.0 C C10 1 0.77405291 0.06846036 0.18696728 1.0 C C11 1 0.84286562 0.90783733 0.49101161 1.0 C C12 1 0.20945072 0.54612335 0.49158343 1.0 C C13 1 0.41531053 0.43419458 0.17912757 1.0 C C14 1 0.27135152 0.56733992 0.03032361 1.0 C C15 1 0.89288836 0.28771444 0.85588648 1.0 C C16 1 0.69731230 0.04934601 0.63690553 1.0 C C17 1 0.65742778 0.69812782 0.26366775 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
18
[ [ 0.34407783, 0.57840024, 0.86999577 ], [ 0.58743993, 0.33660873, 0.63759829 ], [ 0.66296365, 0.02309947, 0.26431748 ], [ 0.99389346, 0.64694842, 0.93156677 ], [ 0.23118596, 0.40608399, 0.72271236 ], [ 0.17830966, 0.48860502, 0.41008771 ], [ 0.06306356000000002, 0.95701959, 0.04553196 ], [ 0.8614264, 0.05061383, 0.71492868 ], [ 0.78278702, 0.20217083, 0.9688914 ], [ 0.81188706, 0.13074913, 0.41075872 ], [ 0.93153964, 0.77405291, 0.18696728 ], [ 0.09216267, 0.84286562, 0.49101161 ], [ 0.45387665, 0.20945072, 0.49158343 ], [ 0.56580542, 0.41531053, 0.17912757 ], [ 0.43266008, 0.27135152, 0.03032361 ], [ 0.71228556, 0.89288836, 0.85588648 ], [ 0.95065399, 0.6973123, 0.63690553 ], [ 0.30187218, 0.65742778, 0.26366775 ] ]
[ [ 3.430107202104355, 0, -0.1433184987077192 ], [ -0.5840247368242919, 3.2087043329868585, 0.25209905344660855 ], [ 0, 0, 9.46277 ] ]
[ true, true, true ]
C-184062-776-18
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45334000 _cell_length_b 6.11561000 _cell_length_c 6.72859000 _cell_angle_alpha 63.22807000 _cell_angle_beta 85.35411000 _cell_angle_gamma 79.70163000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 88.67996646 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.17434091 0.96988069 0.54934599 1 C C1 1 0.65692885 0.32771122 0.25818406 1 C C2 1 0.78143174 0.62752220 0.55502096 1 C C3 1 0.62374788 0.94718295 0.86879155 1 C C4 1 0.65471960 0.90763398 0.10213106 1 C C5 1 0.50935411 0.21469280 0.67953980 1 C C6 1 0.22537001 0.77765340 0.45815983 1 C C7 1 0.78077280 0.50475865 0.80355708 1 C C8 1 1.16107540 0.87778600 0.21166337 1 C C9 1 -0.06717700 0.35163462 0.67938963 1 C C10 1 0.17354424 0.84093957 0.81028930 1 C C11 1 0.62515450 0.13395912 0.49007076 1 C C12 1 0.22508559 0.55737214 -0.09850513 1 C C13 1 0.16302895 0.40930706 0.14824254 1
-154.248593
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11561000 _cell_length_b 12.01478031 _cell_length_c 2.45334000 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.29837000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C28 _cell_volume 177.36174673 _cell_formula_units_Z 28 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.08369724 0.43552944 0.82565909 1.0 C C1 1 0.29594681 0.28994847 0.34307115 1.0 C C2 1 0.74417624 0.43836692 0.21856826 1.0 C C3 1 0.22072228 0.59525222 0.37625212 1.0 C C4 1 0.79594681 0.21005153 0.34307115 1.0 C C5 1 0.39360625 0.50000000 0.49064589 1.0 C C6 1 0.84587687 0.38993636 0.77462999 1.0 C C7 1 0.74417624 0.56163308 0.21856826 1.0 C C8 1 0.82276124 0.26668813 0.83892460 1.0 C C9 1 0.53047299 0.50000000 0.06717700 1.0 C C10 1 0.08369724 0.56447056 0.82565909 1.0 C C11 1 0.22072228 0.40474778 0.37625212 1.0 C C12 1 0.84587687 0.61006364 0.77462999 1.0 C C13 1 0.32276124 0.23331187 0.83892460 1.0 C C14 1 0.58369724 0.93552944 0.82565909 1.0 C C15 1 0.79594681 0.78994848 0.34307115 1.0 C C16 1 0.24417624 0.93836692 0.21856826 1.0 C C17 1 0.72072228 0.09525222 0.37625212 1.0 C C18 1 0.29594681 0.71005152 0.34307115 1.0 C C19 1 0.89360625 0.00000000 0.49064589 1.0 C C20 1 0.34587687 0.88993636 0.77462999 1.0 C C21 1 0.24417624 0.06163308 0.21856826 1.0 C C22 1 0.32276124 0.76668813 0.83892460 1.0 C C23 1 0.03047299 0.00000000 0.06717700 1.0 C C24 1 0.58369724 0.06447056 0.82565909 1.0 C C25 1 0.72072228 0.90474778 0.37625212 1.0 C C26 1 0.34587687 0.11006364 0.77462999 1.0 C C27 1 0.82276124 0.73331187 0.83892460 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
14
[ [ 0.17434091, 0.96988069, 0.54934599 ], [ 0.65692885, 0.32771122, 0.25818406 ], [ 0.78143174, 0.6275222, 0.55502096 ], [ 0.62374788, 0.94718295, 0.86879155 ], [ 0.6547196, 0.90763398, 0.10213106 ], [ 0.50935411, 0.2146928, 0.6795398 ], [ 0.22537001, 0.7776534, 0.45815983 ], [ 0.7807728, 0.50475865, 0.80355708 ], [ 0.1610754000000001, 0.877786, 0.21166337 ], [ 0.932823, 0.35163462, 0.67938963 ], [ 0.17354424, 0.84093957, 0.8102893 ], [ 0.6251545, 0.13395912, 0.49007076 ], [ 0.22508559, 0.55737214, 0.9014948700000001 ], [ 0.16302895, 0.40930706, 0.14824254 ] ]
[ [ 2.445279121846007, 0, 0.19871379384436222 ], [ 0.8730575521044777, 5.3898045238376024, 2.754716569382964 ], [ 0, 0, 6.72859 ] ]
[ true, true, true ]
C-152560-3717-17
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62792000 _cell_length_b 3.27218000 _cell_length_c 4.23615000 _cell_angle_alpha 84.75236000 _cell_angle_beta 131.59837000 _cell_angle_gamma 104.47122000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 36.22029409 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.02848778 0.25088472 0.41841978 1 C C1 1 0.14271084 0.19605914 0.15115128 1 C C2 1 0.78210112 0.83526728 0.79012198 1 C C3 1 0.23169534 0.62181009 0.00279811 1 C C4 1 0.59225813 -0.01774376 0.36389496 1 C C5 1 0.34516089 0.56787683 0.73497870 1
-154.197338
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98047468 _cell_length_b 4.24382782 _cell_length_c 3.62792000 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.14280657 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 72.44059863 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.65849605 0.00000000 1.0 C C1 1 0.10622146 0.81954309 0.38149156 1.0 C C2 1 0.10622146 0.18045691 0.38149156 1.0 C C3 1 0.39377854 0.68045691 0.61850844 1.0 C C4 1 0.39377854 0.31954309 0.61850844 1.0 C C5 1 0.00000000 0.34150395 0.00000000 1.0 C C6 1 0.50000000 0.15849605 0.00000000 1.0 C C7 1 0.60622146 0.31954309 0.38149156 1.0 C C8 1 0.60622146 0.68045691 0.38149156 1.0 C C9 1 0.89377854 0.18045691 0.61850844 1.0 C C10 1 0.89377854 0.81954309 0.61850844 1.0 C C11 1 0.50000000 0.84150395 0.00000000 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.02848778, 0.25088472, 0.41841978 ], [ 0.14271084, 0.19605914, 0.15115128 ], [ 0.78210112, 0.83526728, 0.79012198 ], [ 0.23169534, 0.62181009, 0.00279811 ], [ 0.59225813, 0.98225624, 0.36389496 ], [ 0.34516089, 0.56787683, 0.7349787 ] ]
[ [ 2.713020171349314, 0, -2.408594004030513 ], [ -0.82775138672358, 3.1515748029400483, 0.2992755513746262 ], [ 0, 0, 4.23615 ] ]
[ true, true, true ]
C-176644-8612-38
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00218000 _cell_length_b 3.63568000 _cell_length_c 5.26248000 _cell_angle_alpha 121.69413000 _cell_angle_beta 115.27950000 _cell_angle_gamma 71.44591000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.86318860 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.82330505 0.65835519 0.41173770 1 C C1 1 0.51719756 0.38448430 0.10148140 1 C C2 1 0.82219218 0.03948259 0.41089023 1 C C3 1 0.51838229 1.00348755 1.10249564 1 C C4 1 0.01523052 0.44529102 0.60159228 1 C C5 1 0.32546690 0.59761134 -0.08834225 1
-154.125709
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00218000 _cell_length_b 3.63568000 _cell_length_c 4.56155944 _cell_angle_alpha 101.00598968 _cell_angle_beta 103.82978450 _cell_angle_gamma 108.55409000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.86318860 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.84694625 0.98180729 0.34487185 1.0 C C1 1 0.15305375 0.01819271 0.65512815 1.0 C C2 1 0.84805912 0.36378216 0.34571932 1.0 C C3 1 0.15194088 0.63621784 0.65428068 1.0 C C4 1 0.65502079 0.57888854 0.15501727 1.0 C C5 1 0.34497921 0.42111146 0.84498273 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.82330505, 0.65835519, 0.4117377 ], [ 0.51719756, 0.3844843, 0.1014814 ], [ 0.82219218, 0.03948259, 0.41089023 ], [ 0.51838229, 0.003487550000000006, 0.10249564000000011 ], [ 0.01523052, 0.44529102, 0.60159228 ], [ 0.3254669, 0.59761134, 0.91165775 ] ]
[ [ 2.7146774248443974, 0, -1.28203402117112 ], [ 0.3773148985113321, 3.070375623972295, -1.910129853564443 ], [ 0, 0, 5.26248 ] ]
[ true, true, true ]
C-73641-9983-31
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.50044000 _cell_length_b 4.94164000 _cell_length_c 5.15487000 _cell_angle_alpha 114.73604000 _cell_angle_beta 89.98543000 _cell_angle_gamma 120.43261000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 48.02322600 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.57082137 -0.11940898 0.29628794 1 C C1 1 0.58221913 0.39208147 0.24149305 1 C C2 1 1.16124095 0.47125012 0.11587201 1 C C3 1 0.99678671 0.30705590 0.78728117 1 C C4 1 0.28186673 0.09104011 0.32240630 1 C C5 1 -0.12245681 0.68730282 0.58132036 1 C C6 1 0.57600842 0.38625807 0.66194291 1 C C7 1 0.58837300 0.89795719 0.60803746 1
-154.241466
10
10
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26080892 _cell_length_b 2.50044000 _cell_length_c 4.83896051 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.32744588 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 48.02323515 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.64719168 0.50000000 0.15587476 1.0 C C1 1 0.21347702 0.00000000 0.21066965 1.0 C C2 1 0.41826671 0.50000000 0.33629069 1.0 C C3 1 0.58173329 0.50000000 0.66370931 1.0 C C4 1 0.83152241 0.00000000 0.12975640 1.0 C C5 1 0.16847759 0.00000000 0.87024360 1.0 C C6 1 0.78652298 0.00000000 0.78933035 1.0 C C7 1 0.35280832 0.50000000 0.84412524 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.57082137, 0.88059102, 0.29628794 ], [ 0.58221913, 0.39208147, 0.24149305 ], [ 0.16124095000000005, 0.47125012, 0.11587201 ], [ 0.99678671, 0.3070559, 0.78728117 ], [ 0.28186673, 0.09104011, 0.3224063 ], [ 0.87754319, 0.68730282, 0.58132036 ], [ 0.57600842, 0.38625807, 0.66194291 ], [ 0.588373, 0.89795719, 0.60803746 ] ]
[ [ 2.500439919153676, 0, 0.0006358480627540082 ], [ -2.5025364001916257, 3.7257798509072324, -2.0677722209879916 ], [ 0, 0, 5.15487 ] ]
[ true, true, true ]
C-189736-8326-27
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45040000 _cell_length_b 3.92309000 _cell_length_c 6.20503000 _cell_angle_alpha 47.23375000 _cell_angle_beta 78.57396000 _cell_angle_gamma 89.98545000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.16910378 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.49140535 0.32061284 0.18384381 1 C C1 1 0.33945546 0.14656968 0.49145960 1 C C2 1 0.77249004 0.07836760 0.62620351 1 C C3 1 0.02085627 0.19080301 0.12633767 1 C C4 1 0.61735989 0.90422301 0.93394700 1 C C5 1 0.08859419 1.03437175 0.99115241 1
-154.250428
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79235805 _cell_length_b 2.45040000 _cell_length_c 3.92309000 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.78064328 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 84.33822954 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.56297727 0.00000000 0.66685668 1.0 C C1 1 0.71678517 0.00000000 0.53328405 1.0 C C2 1 0.78321483 0.50000000 0.46671595 1.0 C C3 1 0.53422420 0.50000000 0.85417265 1.0 C C4 1 0.93702273 0.50000000 0.33314332 1.0 C C5 1 0.96577580 0.00000000 0.14582735 1.0 C C6 1 0.06297727 0.50000000 0.66685668 1.0 C C7 1 0.21678517 0.50000000 0.53328405 1.0 C C8 1 0.28321483 0.00000000 0.46671595 1.0 C C9 1 0.03422420 0.00000000 0.85417265 1.0 C C10 1 0.43702273 0.00000000 0.33314332 1.0 C C11 1 0.46577580 0.50000000 0.14582735 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.49140535, 0.32061284, 0.18384381 ], [ 0.33945546, 0.14656968, 0.4914596 ], [ 0.77249004, 0.0783676, 0.62620351 ], [ 0.02085627, 0.19080301, 0.12633767 ], [ 0.61735989, 0.90422301, 0.933947 ], [ 0.08859419, 0.034371750000000034, 0.99115241 ] ]
[ [ 2.401836113774357, 0, 0.48543119241484095 ], [ -0.5373625922942971, 2.8294831692826365, 2.6638133544317704 ], [ 0, 0, 6.20503 ] ]
[ true, true, true ]
C-142748-3187-32
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60824000 _cell_length_b 4.94369000 _cell_length_c 4.74674000 _cell_angle_alpha 121.43153000 _cell_angle_beta 105.52267000 _cell_angle_gamma 89.88723000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 49.61029599 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.63007498 0.37911280 0.40170502 1 C C1 1 -0.08858208 0.40486747 0.95395494 1 C C2 1 0.80934257 0.55173383 0.74708742 1 C C3 1 0.91150769 0.90486002 0.95391141 1 C C4 1 0.62990379 0.87911634 0.40166931 1 C C5 1 0.52661617 0.52538846 0.19469608 1 C C6 1 0.52669681 0.02538600 0.19466277 1 C C7 1 0.80914657 0.05173887 0.74705544 1
-154.18831
65
65
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60824000 _cell_length_b 7.69530463 _cell_length_c 2.47184500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 49.61289871 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.41037241 0.00000000 1.0 C C1 1 0.00000000 0.68649541 0.50000000 1.0 C C2 1 0.00000000 0.58962759 0.00000000 1.0 C C3 1 0.00000000 0.31350459 0.50000000 1.0 C C4 1 0.50000000 0.91037241 0.00000000 1.0 C C5 1 0.50000000 0.18649541 0.50000000 1.0 C C6 1 0.50000000 0.08962759 0.00000000 1.0 C C7 1 0.50000000 0.81350459 0.50000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.63007498, 0.3791128, 0.40170502 ], [ 0.91141792, 0.40486747, 0.95395494 ], [ 0.80934257, 0.55173383, 0.74708742 ], [ 0.91150769, 0.90486002, 0.95391141 ], [ 0.62990379, 0.87911634, 0.40166931 ], [ 0.52661617, 0.52538846, 0.19469608 ], [ 0.52669681, 0.025386, 0.19466277 ], [ 0.80914657, 0.05173887, 0.74705544 ] ]
[ [ 2.5131035086123363, 0, -0.6980162266024792 ], [ -0.7059515591072945, 4.158780486649073, -2.578031822177702 ], [ 0, 0, 4.74674 ] ]
[ true, true, true ]
C-193936-350-11
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48140000 _cell_length_b 3.68917000 _cell_length_c 4.83936000 _cell_angle_alpha 57.41571000 _cell_angle_beta 75.14224000 _cell_angle_gamma 70.31359000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 34.98879965 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.71906606 0.44846887 0.52707166 1 C C1 1 0.49595365 0.68764774 0.73377278 1 C C2 1 0.97603862 0.50561485 0.95554934 1 C C3 1 0.29766782 0.16079071 0.65791692 1 C C4 1 0.17707238 0.03212627 0.03133444 1 C C5 1 0.75530776 0.74471057 0.16216697 1
-154.309803
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94708077 _cell_length_b 2.48140000 _cell_length_c 4.21900943 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.81116703 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 69.97761478 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.98378936 0.50000000 0.81754766 1.0 C C1 1 0.26084936 0.00000000 0.61084654 1.0 C C2 1 0.23915064 0.50000000 0.38915346 1.0 C C3 1 0.06220581 0.00000000 0.68670240 1.0 C C4 1 0.43779419 0.50000000 0.31329760 1.0 C C5 1 0.01621064 0.50000000 0.18245234 1.0 C C6 1 0.48378936 0.00000000 0.81754766 1.0 C C7 1 0.76084936 0.50000000 0.61084654 1.0 C C8 1 0.73915064 0.00000000 0.38915346 1.0 C C9 1 0.56220581 0.50000000 0.68670240 1.0 C C10 1 0.93779419 0.00000000 0.31329760 1.0 C C11 1 0.51621064 0.00000000 0.18245234 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.71906606, 0.44846887, 0.52707166 ], [ 0.49595365, 0.68764774, 0.73377278 ], [ 0.97603862, 0.50561485, 0.95554934 ], [ 0.29766782, 0.16079071, 0.65791692 ], [ 0.17707238, 0.03212627, 0.03133444 ], [ 0.75530776, 0.74471057, 0.16216697 ] ]
[ [ 2.398435338763049, 0, 0.6362812945329906 ], [ 0.7586978444747337, 3.0144848017672166, 1.9867647695698294 ], [ 0, 0, 4.83936 ] ]
[ true, true, true ]
C-193940-9208-15
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31385000 _cell_length_b 3.39398000 _cell_length_c 5.87019000 _cell_angle_alpha 63.98523000 _cell_angle_beta 80.86115000 _cell_angle_gamma 87.42185000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.55765794 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.84027549 0.34255939 0.34979910 1 C C1 1 0.14737883 0.72366876 0.19515384 1 C C2 1 0.79357183 0.06739166 0.21201646 1 C C3 1 0.06382052 0.70044924 0.77590486 1 C C4 1 0.35223741 0.74369169 0.94334079 1 C C5 1 0.56246433 0.18870088 0.79278362 1 C C6 1 0.93645465 0.15846191 0.62331305 1 C C7 1 0.68898779 0.40344902 0.94956781 1 C C8 1 0.26936686 0.46996954 0.62470413 1 C C9 1 0.48169388 0.67447080 0.34969235 1
-154.309857
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31385000 _cell_length_b 3.39398000 _cell_length_c 5.33866958 _cell_angle_alpha 98.82777277 _cell_angle_beta 98.39773080 _cell_angle_gamma 92.57815000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.55765794 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.84027549 0.30764151 0.65020090 1.0 C C1 1 0.14737883 0.08117740 0.80484616 1.0 C C2 1 0.79357183 0.72059188 0.78798354 1.0 C C3 1 0.06382052 0.52364590 0.22409514 1.0 C C4 1 0.35223741 0.31296752 0.05665921 1.0 C C5 1 0.56246433 0.01851550 0.20721638 1.0 C C6 1 0.93645465 0.21822504 0.37668695 1.0 C C7 1 0.68898779 0.64698317 0.05043219 1.0 C C8 1 0.26936686 0.90532633 0.37529587 1.0 C C9 1 0.48169388 0.97583685 0.65030765 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.84027549, 0.34255939, 0.3497991 ], [ 0.14737883, 0.72366876, 0.19515384 ], [ 0.79357183, 0.06739166, 0.21201646 ], [ 0.06382052, 0.70044924, 0.77590486 ], [ 0.35223741, 0.74369169, 0.94334079 ], [ 0.56246433, 0.18870088, 0.79278362 ], [ 0.93645465, 0.15846191, 0.62331305 ], [ 0.68898779, 0.40344902, 0.94956781 ], [ 0.26936686, 0.46996954, 0.62470413 ], [ 0.48169388, 0.6744708, 0.34969235 ] ]
[ [ 3.271785111643952, 0, 0.5263306999643589 ], [ -0.08484102363882476, 3.048925189840284, 1.488609226044669 ], [ 0, 0, 5.87019 ] ]
[ true, true, true ]
C-96665-6528-46
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.60185000 _cell_length_b 4.50467000 _cell_length_c 4.19425000 _cell_angle_alpha 105.64497000 _cell_angle_beta 109.94553000 _cell_angle_gamma 114.06951000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 37.09870061 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.04332468 0.53746946 0.03356292 1 C C1 1 0.28964411 -0.13638192 0.69837238 1 C C2 1 0.75101717 0.20030591 1.07205256 1 C C3 1 0.43286406 0.20176711 0.31711736 1 C C4 1 1.22370290 0.86429730 0.35465041 1 C C5 1 0.89140423 0.53843294 0.68991348 1
-154.125211
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19425000 _cell_length_b 7.23367602 _cell_length_c 2.60185000 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.94553000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 74.20471320 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.17230646 0.66943629 0.53311728 1.0 C C1 1 0.67230646 0.83056371 0.53311728 1.0 C C2 1 0.37937788 0.50000000 0.66462269 1.0 C C3 1 0.62062212 0.50000000 0.33537731 1.0 C C4 1 0.32769354 0.83056371 0.46688272 1.0 C C5 1 0.82769354 0.66943629 0.46688272 1.0 C C6 1 0.67230646 0.16943629 0.53311728 1.0 C C7 1 0.17230646 0.33056371 0.53311728 1.0 C C8 1 0.87937788 0.00000000 0.66462269 1.0 C C9 1 0.12062212 0.00000000 0.33537731 1.0 C C10 1 0.82769354 0.33056371 0.46688272 1.0 C C11 1 0.32769354 0.16943629 0.46688272 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.95667532, 0.53746946, 0.03356292 ], [ 0.28964411, 0.86361808, 0.69837238 ], [ 0.75101717, 0.20030591, 0.07205255999999993 ], [ 0.43286406, 0.20176711, 0.31711736 ], [ 0.22370289999999993, 0.8642973, 0.35465041 ], [ 0.89140423, 0.53843294, 0.68991348 ] ]
[ [ 2.4457841371306372, 0, -0.8875603512213385 ], [ -2.3952814922408443, 3.616481613520083, -1.2148000332975175 ], [ 0, 0, 4.19425 ] ]
[ true, true, true ]
C-80168-1847-15
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48201000 _cell_length_b 3.66624000 _cell_length_c 5.57165000 _cell_angle_alpha 70.76326000 _cell_angle_beta 77.11638000 _cell_angle_gamma 89.99610000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 46.51550100 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.96717545 0.81634307 0.70350979 1 C C1 1 0.59036570 0.43732168 0.46126938 1 C C2 1 1.20263368 0.04953939 0.23701565 1 C C3 1 0.46717674 0.57803471 0.70356044 1 C C4 1 -0.14091557 -0.03403184 0.92782617 1 C C5 1 0.35875998 0.20402627 0.92794576 1 C C6 1 0.09036559 0.19843845 0.46137183 1 C C7 1 0.70287873 0.81072207 0.23693448 1
-154.244784
74
74
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48201000 _cell_length_b 3.66624000 _cell_length_c 10.22358812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 93.03101584 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50000000 0.13055838 0.56048930 1.0 C C1 1 0.00000000 0.63055838 0.43951070 1.0 C C2 1 0.50000000 0.13060913 0.32724223 1.0 C C3 1 0.00000000 0.36944162 0.56048930 1.0 C C4 1 0.50000000 0.86939086 0.67275777 1.0 C C5 1 0.00000000 0.63060914 0.67275777 1.0 C C6 1 0.50000000 0.86944162 0.43951070 1.0 C C7 1 0.00000000 0.36939087 0.32724223 1.0 C C8 1 0.00000000 0.63055838 0.06048930 1.0 C C9 1 0.50000000 0.13055838 0.93951070 1.0 C C10 1 0.00000000 0.63060914 0.82724223 1.0 C C11 1 0.50000000 0.86944162 0.06048930 1.0 C C12 1 0.00000000 0.36939086 0.17275777 1.0 C C13 1 0.50000000 0.13060914 0.17275777 1.0 C C14 1 0.00000000 0.36944162 0.93951070 1.0 C C15 1 0.50000000 0.86939086 0.82724223 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.96717545, 0.81634307, 0.70350979 ], [ 0.5903657, 0.43732168, 0.46126938 ], [ 0.20263367999999993, 0.04953939, 0.23701565 ], [ 0.46717674, 0.57803471, 0.70356044 ], [ 0.85908443, 0.96596816, 0.92782617 ], [ 0.35875998, 0.20402627, 0.92794576 ], [ 0.09036559, 0.19843845, 0.46137183 ], [ 0.70287873, 0.81072207, 0.23693448 ] ]
[ [ 2.4195253441440676, 0, 0.5534173372279996 ], [ -0.27603210227122166, 3.450513255722476, 1.2079239579539802 ], [ 0, 0, 5.57165 ] ]
[ true, true, true ]
C-96680-6628-15
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46401000 _cell_length_b 3.80092000 _cell_length_c 7.88625000 _cell_angle_alpha 68.54305000 _cell_angle_beta 90.02277000 _cell_angle_gamma 71.06658000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 64.42301016 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.07112943 1.09525974 0.12614058 1 C C1 1 0.65726902 0.92472668 0.41703073 1 C C2 1 0.57885783 0.08498542 0.84984497 1 C C3 1 -0.09791503 0.43570183 0.53427463 1 C C4 1 0.76948966 0.70611094 0.80877025 1 C C5 1 0.09178702 0.05741112 0.49265290 1 C C6 1 0.59632091 1.04652649 0.21641740 1 C C7 1 1.01261175 0.21805136 0.92542446 1 C C8 1 0.24686359 0.74928758 0.69150221 1 C C9 1 0.42498531 0.39222775 0.65119507 1
-154.215669
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19055248 _cell_length_b 2.46401000 _cell_length_c 7.88625000 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.75935225 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 128.84605010 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.26177089 0.00000000 0.04513841 1.0 C C1 1 0.17650436 0.50000000 0.75424826 1.0 C C2 1 0.25663373 0.50000000 0.32143402 1.0 C C3 1 0.43199193 0.00000000 0.63700436 1.0 C C4 1 0.06800807 0.50000000 0.36299564 1.0 C C5 1 0.24336627 0.00000000 0.67856598 1.0 C C6 1 0.23822911 0.50000000 0.95486159 1.0 C C7 1 0.82349564 0.50000000 0.24575174 1.0 C C8 1 0.08878480 0.00000000 0.47977678 1.0 C C9 1 0.91121520 0.00000000 0.52022322 1.0 C C10 1 0.76177089 0.50000000 0.04513841 1.0 C C11 1 0.67650436 0.00000000 0.75424826 1.0 C C12 1 0.75663372 0.00000000 0.32143402 1.0 C C13 1 0.93199193 0.50000000 0.63700436 1.0 C C14 1 0.56800807 0.00000000 0.36299564 1.0 C C15 1 0.74336628 0.50000000 0.67856598 1.0 C C16 1 0.73822911 0.00000000 0.95486159 1.0 C C17 1 0.32349564 0.00000000 0.24575174 1.0 C C18 1 0.58878480 0.50000000 0.47977678 1.0 C C19 1 0.41121520 0.50000000 0.52022322 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.07112943, 0.09525973999999993, 0.12614058 ], [ 0.65726902, 0.92472668, 0.41703073 ], [ 0.57885783, 0.08498542, 0.84984497 ], [ 0.90208497, 0.43570183, 0.53427463 ], [ 0.76948966, 0.70611094, 0.80877025 ], [ 0.09178702, 0.05741112, 0.4926529 ], [ 0.59632091, 0.046526489999999976, 0.2164174 ], [ 0.012611750000000033, 0.21805136, 0.92542446 ], [ 0.24686359, 0.74928758, 0.69150221 ], [ 0.42498531, 0.39222775, 0.65119507 ] ]
[ [ 2.4640098054222124, 0, -0.0009792258120919582 ], [ 1.233834140022089, 3.3153397531553646, 1.3903842930872312 ], [ 0, 0, 7.88625 ] ]
[ true, true, true ]
C-184072-584-51
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48129000 _cell_length_b 4.58002000 _cell_length_c 4.48499000 _cell_angle_alpha 107.46007000 _cell_angle_beta 56.41722000 _cell_angle_gamma 122.82565000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.68155432 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.02488545 0.22835303 0.42438208 1 C C1 1 0.67619241 0.93326018 0.92811594 1 C C2 1 0.94668094 0.93310892 0.15747346 1 C C3 1 0.23827399 0.22851290 0.66142677 1 C C4 1 0.64780781 0.63791966 0.66124394 1 C C5 1 0.38469770 0.63776511 0.42415711 1
-154.159898
51
51
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48129000 _cell_length_b 3.73638924 _cell_length_c 3.84870105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.68155853 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.75000000 0.38156907 0.29529396 1.0 C C1 1 0.25000000 0.88530293 0.00000000 1.0 C C2 1 0.75000000 0.11469707 0.00000000 1.0 C C3 1 0.25000000 0.61843093 0.29529396 1.0 C C4 1 0.25000000 0.61843093 0.70470604 1.0 C C5 1 0.75000000 0.38156907 0.70470604 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.97511455, 0.22835303, 0.42438208 ], [ 0.67619241, 0.93326018, 0.92811594 ], [ 0.94668094, 0.93310892, 0.15747346 ], [ 0.23827399, 0.2285129, 0.66142677 ], [ 0.64780781, 0.63791966, 0.66124394 ], [ 0.3846977, 0.63776511, 0.42415711 ] ]
[ [ 2.0671317387999206, 0, 1.3725037116693042 ], [ -2.067771085980395, 3.8487006231747456, -1.37419410912643 ], [ 0, 0, 4.48499 ] ]
[ true, true, true ]
C-152587-3980-28
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.66467000 _cell_length_b 4.22435000 _cell_length_c 4.81356000 _cell_angle_alpha 72.77084000 _cell_angle_beta 92.64510000 _cell_angle_gamma 58.73467000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.89044939 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.34995099 0.90173669 0.67823897 1 C C1 1 0.38787535 0.86532934 0.98540529 1 C C2 1 0.79066212 0.46168402 0.17683637 1 C C3 1 0.73592539 0.51839149 0.67876895 1 C C4 1 0.94757448 0.30527862 0.48674324 1 C C5 1 0.00275577 0.24862514 -0.01499341 1
-154.089793
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64160801 _cell_length_b 8.91535531 _cell_length_c 2.66467000 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.45078796 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 85.78133421 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.80832740 0.32653107 0.00131460 1.0 C C1 1 0.69167260 0.17346893 0.99868540 1.0 C C2 1 0.50000000 0.57723237 0.00000000 1.0 C C3 1 0.19167260 0.32653107 0.99868540 1.0 C C4 1 0.50000000 0.42276763 0.00000000 1.0 C C5 1 0.30832740 0.17346893 0.00131460 1.0 C C6 1 0.30832740 0.82653107 0.00131460 1.0 C C7 1 0.19167260 0.67346893 0.99868540 1.0 C C8 1 0.00000000 0.07723237 0.00000000 1.0 C C9 1 0.69167260 0.82653107 0.99868540 1.0 C C10 1 0.00000000 0.92276763 0.00000000 1.0 C C11 1 0.80832740 0.67346893 0.00131460 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.34995099, 0.90173669, 0.67823897 ], [ 0.38787535, 0.86532934, 0.98540529 ], [ 0.79066212, 0.46168402, 0.17683637 ], [ 0.73592539, 0.51839149, 0.67876895 ], [ 0.94757448, 0.30527862, 0.48674324 ], [ 0.00275577, 0.24862514, 0.98500659 ] ]
[ [ 2.661830935702189, 0, -0.12297267435820021 ], [ 2.2525893257112797, 3.3474472268558015, 1.2512279231247243 ], [ 0, 0, 4.81356 ] ]
[ true, true, true ]
C-170364-9439-1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47214000 _cell_length_b 3.23022000 _cell_length_c 5.74505000 _cell_angle_alpha 80.68397000 _cell_angle_beta 115.48897000 _cell_angle_gamma 112.48782000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 38.26294219 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.12272674 0.28257368 0.03626022 1 C C1 1 0.72105155 0.91984445 0.81686000 1 C C2 1 0.77560870 0.28267221 0.18893432 1 C C3 1 0.68406192 0.28081600 0.59804886 1 C C4 1 0.03166346 0.28099699 0.44544125 1 C C5 1 0.08331043 0.64318286 0.81714525 1
-154.258286
65
65
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47214000 _cell_length_b 5.96919382 _cell_length_c 5.18587363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 76.52629225 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50000000 0.50000000 0.21910568 1.0 C C1 1 0.00000000 0.81886212 0.00000000 1.0 C C2 1 0.00000000 0.50000000 0.37177978 1.0 C C3 1 0.50000000 0.50000000 0.78089432 1.0 C C4 1 0.00000000 0.50000000 0.62822022 1.0 C C5 1 0.50000000 0.68113788 0.00000000 1.0 C C6 1 0.00000000 0.00000000 0.21910568 1.0 C C7 1 0.50000000 0.31886211 0.00000000 1.0 C C8 1 0.50000000 0.00000000 0.37177978 1.0 C C9 1 0.00000000 0.00000000 0.78089432 1.0 C C10 1 0.50000000 0.00000000 0.62822022 1.0 C C11 1 0.00000000 0.18113789 0.00000000 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.12272674, 0.28257368, 0.03626022 ], [ 0.72105155, 0.91984445, 0.81686 ], [ 0.7756087, 0.28267221, 0.18893432 ], [ 0.68406192, 0.280816, 0.59804886 ], [ 0.03166346, 0.28099699, 0.44544125 ], [ 0.08331043, 0.64318286, 0.81714525 ] ]
[ [ 2.231522028565396, 0, -1.0638541326833206 ], [ -1.1194485168807307, 2.984581003702181, 0.5229077344939655 ], [ 0, 0, 5.74505 ] ]
[ true, true, true ]
C-72703-290-38
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87966000 _cell_length_b 3.63732000 _cell_length_c 4.81502000 _cell_angle_alpha 67.82550000 _cell_angle_beta 85.97119000 _cell_angle_gamma 70.04996000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.80157403 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.11944475 -0.15592722 0.45290963 1 C C1 1 0.12527716 0.56910122 -0.23868415 1 C C2 1 1.12368266 0.22331934 0.45320759 1 C C3 1 0.12239422 0.78351649 0.95257636 1 C C4 1 0.12208800 0.18927884 0.76119581 1 C C5 1 0.12232451 0.62948242 0.26169487 1
-154.125631
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.87966000 _cell_length_b 3.63732000 _cell_length_c 4.81602712 _cell_angle_alpha 67.79612110 _cell_angle_beta 79.19602277 _cell_angle_gamma 70.04996000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.80157403 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50291621 0.51671733 0.34579689 1.0 C C1 1 0.49708379 0.48328267 0.65420311 1.0 C C2 1 0.49867829 0.13717281 0.34609485 1.0 C C3 1 0.49996674 0.07760689 0.84546362 1.0 C C4 1 0.50132171 0.86282719 0.65390515 1.0 C C5 1 0.50003326 0.92239311 0.15453638 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.11944475, 0.84407278, 0.45290963 ], [ 0.12527716, 0.56910122, 0.76131585 ], [ 0.12368266000000006, 0.22331934, 0.45320759 ], [ 0.12239422, 0.78351649, 0.95257636 ], [ 0.122088, 0.18927884, 0.76119581 ], [ 0.12232451, 0.62948242, 0.26169487 ] ]
[ [ 2.8725439240088666, 0, 0.20231935211378516 ], [ 1.1474390741083749, 3.1668314098409174, 1.3728288951119527 ], [ 0, 0, 4.81502 ] ]
[ true, true, true ]
C-106893-7976-17
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42788000 _cell_length_b 3.57810000 _cell_length_c 7.53814000 _cell_angle_alpha 82.56159000 _cell_angle_beta 97.61888000 _cell_angle_gamma 113.65087000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 59.24527139 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.06263597 0.07724216 0.43999237 1 C C1 1 0.73036242 0.74382141 0.10672759 1 C C2 1 0.81261388 0.32726317 0.68990535 1 C C3 1 0.31194784 0.82600573 0.19029127 1 C C4 1 0.47970011 0.99273896 0.35694649 1 C C5 1 0.56314214 0.57792383 0.93983519 1 C C6 1 0.23062926 0.24439566 0.60652760 1 C C7 1 0.98054339 0.49412798 0.85656133 1
-154.432589
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42632182 _cell_length_b 4.20631796 _cell_length_c 2.96790621 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.89295401 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C4 _cell_volume 29.63990063 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.16664180 0.50000000 1.0 C C1 1 0.00000000 0.83335820 0.50000000 1.0 C C2 1 0.50000000 0.66664180 0.50000000 1.0 C C3 1 0.50000000 0.33335820 0.50000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.0626359700000001, 0.07724216, 0.43999237 ], [ 0.73036242, 0.74382141, 0.10672759 ], [ 0.81261388, 0.32726317, 0.68990535 ], [ 0.31194784, 0.82600573, 0.19029127 ], [ 0.47970011, 0.99273896, 0.35694649 ], [ 0.56314214, 0.57792383, 0.93983519 ], [ 0.23062926, 0.24439566, 0.6065276 ], [ 0.98054339, 0.49412798, 0.85656133 ] ]
[ [ 2.4064464460598596, 0, -0.3218956300509089 ], [ -1.3862217343418959, 3.2659782867411367, 0.4632221322147459 ], [ 0, 0, 7.53814 ] ]
[ true, true, true ]
C-13685-851-1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45713000 _cell_length_b 7.32938000 _cell_length_c 4.43439000 _cell_angle_alpha 107.92420000 _cell_angle_beta 106.29874000 _cell_angle_gamma 109.48609000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 64.76174998 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.26384476 0.76804385 0.73769279 1 C C1 1 0.69750046 0.89184348 0.35968448 1 C C2 1 0.20927584 -0.15006120 0.46634115 1 C C3 1 0.29626185 0.10090817 0.14374249 1 C C4 1 0.61627008 0.31383617 0.35309240 1 C C5 1 0.64173914 0.97375294 0.08836480 1 C C6 1 0.29181414 0.42810999 0.47494611 1 C C7 1 0.61013022 0.64106100 0.68307207 1
-154.146409
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51241632 _cell_length_b 2.45713000 _cell_length_c 6.90958225 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.33331225 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 129.52440777 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.58924336 0.50000000 0.60285455 1.0 C C1 1 0.77824751 0.00000000 0.47905491 1.0 C C2 1 0.72175249 0.50000000 0.52094509 1.0 C C3 1 0.38621851 0.00000000 0.26999023 1.0 C C4 1 0.28154355 0.00000000 0.05706223 1.0 C C5 1 0.91075664 0.00000000 0.39714545 1.0 C C6 1 0.21845645 0.50000000 0.94293777 1.0 C C7 1 0.11378149 0.50000000 0.73000977 1.0 C C8 1 0.08924336 0.00000000 0.60285455 1.0 C C9 1 0.27824751 0.50000000 0.47905491 1.0 C C10 1 0.22175249 0.00000000 0.52094509 1.0 C C11 1 0.88621851 0.50000000 0.26999023 1.0 C C12 1 0.78154355 0.50000000 0.05706223 1.0 C C13 1 0.41075664 0.50000000 0.39714545 1.0 C C14 1 0.71845645 0.00000000 0.94293777 1.0 C C15 1 0.61378149 0.00000000 0.73000977 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.26384476, 0.76804385, 0.73769279 ], [ 0.69750046, 0.89184348, 0.35968448 ], [ 0.20927584, 0.8499388, 0.46634115 ], [ 0.29626185, 0.10090817, 0.14374249 ], [ 0.61627008, 0.31383617, 0.3530924 ], [ 0.64173914, 0.97375294, 0.0883648 ], [ 0.29181414, 0.42810999, 0.47494611 ], [ 0.61013022, 0.641061, 0.68307207 ] ]
[ [ 2.358381542357466, 0, -0.6895827271383891 ], [ -3.2068447312971555, 6.192565690460197, -2.2556791046349858 ], [ 0, 0, 4.43439 ] ]
[ true, true, true ]
C-9614-2905-39
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51153000 _cell_length_b 4.77079000 _cell_length_c 8.94949000 _cell_angle_alpha 68.22223000 _cell_angle_beta 82.14733000 _cell_angle_gamma 77.62534000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 97.07286919 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.01610141 0.93791349 0.05233999 1 C C1 1 0.05837240 0.62945156 0.15065153 1 C C2 1 0.91483853 0.60095381 0.75125950 1 C C3 1 1.01943650 0.68734301 0.41504050 1 C C4 1 0.14767422 0.49937722 0.31318743 1 C C5 1 -0.08823354 0.03841520 0.30975803 1 C C6 1 0.57256935 0.10968424 0.77023416 1 C C7 1 1.03525232 0.44754622 1.05783789 1 C C8 1 0.31625224 0.16571517 0.37016304 1 C C9 1 0.47859631 0.65838236 0.52001984 1 C C10 1 0.48504599 0.46202312 0.70011443 1 C C11 1 -0.02005652 0.14222356 0.13103928 1 C C12 1 0.00780432 0.63532507 0.90129538 1 C C13 1 0.76840426 0.94960463 0.64470247 1 C C14 1 0.04906976 0.96676658 0.87708825 1 C C15 1 0.31547606 -0.02561944 0.54495989 1
-154.113518
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51153000 _cell_length_b 4.77079000 _cell_length_c 8.43638716 _cell_angle_alpha 99.90000711 _cell_angle_beta 91.36073270 _cell_angle_gamma 102.37466000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 97.07286919 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.01610141 0.00974652 0.94766001 1.0 C C1 1 0.05837240 0.21989691 0.84934847 1.0 C C2 1 0.91483853 0.64778669 0.24874050 1.0 C C3 1 0.01943650 0.89761649 0.58495950 1.0 C C4 1 0.14767422 0.18743535 0.68681257 1.0 C C5 1 0.91176646 0.65182677 0.69024197 1.0 C C6 1 0.57256935 0.12008160 0.22976584 1.0 C C7 1 0.03525232 0.49461589 0.94216211 1.0 C C8 1 0.31625224 0.46412179 0.62983696 1.0 C C9 1 0.47859631 0.82159780 0.47998016 1.0 C C10 1 0.48504599 0.83786245 0.29988557 1.0 C C11 1 0.97994348 0.72673716 0.86896072 1.0 C C12 1 0.00780432 0.46337955 0.09870462 1.0 C C13 1 0.76840426 0.40569290 0.35529753 1.0 C C14 1 0.04906976 0.15614517 0.12291175 1.0 C C15 1 0.31547606 0.48065955 0.45504011 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
16
[ [ 0.016101410000000094, 0.93791349, 0.05233999 ], [ 0.0583724, 0.62945156, 0.15065153 ], [ 0.91483853, 0.60095381, 0.7512595 ], [ 0.01943650000000008, 0.68734301, 0.4150405 ], [ 0.14767422, 0.49937722, 0.31318743 ], [ 0.91176646, 0.0384152, 0.30975803 ], [ 0.57256935, 0.10968424, 0.77023416 ], [ 0.03525231999999989, 0.44754622, 0.05783789000000006 ], [ 0.31625224, 0.16571517, 0.37016304 ], [ 0.47859631, 0.65838236, 0.52001984 ], [ 0.48504599, 0.46202312, 0.70011443 ], [ 0.97994348, 0.14222356, 0.13103928 ], [ 0.00780432, 0.63532507, 0.90129538 ], [ 0.76840426, 0.94960463, 0.64470247 ], [ 0.04906976, 0.96676658, 0.87708825 ], [ 0.31547606, 0.97438056, 0.54495989 ] ]
[ [ 2.4879785375826553, 0, 0.3431409876830114 ], [ 0.7879568524455548, 4.359663298967474, 1.7699991927738654 ], [ 0, 0, 8.94949 ] ]
[ true, true, true ]
C-145350-4405-17
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42580000 _cell_length_b 4.21905000 _cell_length_c 8.77872000 _cell_angle_alpha 89.49926000 _cell_angle_beta 105.97036000 _cell_angle_gamma 89.95417000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 86.37495999 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.29417239 0.42494576 0.67381519 1 C C1 1 -0.03100487 0.36279846 0.34719893 1 C C2 1 0.04480036 0.51238519 0.92185690 1 C C3 1 0.51660571 -0.14142691 0.39081324 1 C C4 1 0.79346127 0.42401922 0.17335003 1 C C5 1 0.21609055 0.45032051 0.09567281 1 C C6 1 0.71562198 0.45025491 0.59532714 1 C C7 1 1.00274798 0.01480386 0.37728092 1 C C8 1 0.47117527 0.36459842 0.84812826 1 C C9 1 0.02144527 0.86051754 -0.10707556 1 C C10 1 0.50714115 1.01669106 0.87887460 1 C C11 1 0.54283082 0.51066909 0.42107825 1
-154.312193
63
63
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93940252 _cell_length_b 5.99501929 _cell_length_c 2.42580000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 86.37505467 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.29636887 0.21828623 0.25000000 1.0 C C1 1 0.50000000 0.07459727 0.25000000 1.0 C C2 1 0.50000000 0.92540273 0.75000000 1.0 C C3 1 0.29636887 0.78171377 0.75000000 1.0 C C4 1 0.20363113 0.28171377 0.75000000 1.0 C C5 1 0.70363113 0.21828623 0.25000000 1.0 C C6 1 0.79636887 0.71828623 0.25000000 1.0 C C7 1 0.00000000 0.57459727 0.25000000 1.0 C C8 1 0.00000000 0.42540273 0.75000000 1.0 C C9 1 0.79636887 0.28171377 0.75000000 1.0 C C10 1 0.70363113 0.78171377 0.75000000 1.0 C C11 1 0.20363113 0.71828623 0.25000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.29417239, 0.42494576, 0.67381519 ], [ 0.96899513, 0.36279846, 0.34719893 ], [ 0.04480036, 0.51238519, 0.9218569 ], [ 0.51660571, 0.85857309, 0.39081324 ], [ 0.79346127, 0.42401922, 0.17335003 ], [ 0.21609055, 0.45032051, 0.09567281 ], [ 0.71562198, 0.45025491, 0.59532714 ], [ 0.0027479800000000942, 0.01480386, 0.37728092 ], [ 0.47117527, 0.36459842, 0.84812826 ], [ 0.02144527, 0.86051754, 0.89292444 ], [ 0.50714115, 0.01669106000000009, 0.8788746 ], [ 0.54283082, 0.51066909, 0.42107825 ] ]
[ [ 2.332174208439276, 0, -0.6674347170252966 ], [ 0.014062519426661969, 4.218865438777143, 0.03687217838871331 ], [ 0, 0, 8.77872 ] ]
[ true, true, true ]
C-170910-1502-65
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48100000 _cell_length_b 7.61141000 _cell_length_c 4.43030000 _cell_angle_alpha 133.69751000 _cell_angle_beta 124.06104000 _cell_angle_gamma 80.57198000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 46.50332885 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.70125695 0.55481993 0.18694241 1 C C1 1 0.13040255 0.24590193 -0.03799544 1 C C2 1 0.92532733 0.77911213 1.02320496 1 C C3 1 0.44018604 0.55472117 0.42574320 1 C C4 1 0.90635401 1.02153566 1.12565398 1 C C5 1 0.16721578 0.02154973 -0.11348932 1 C C6 1 0.39146802 0.24602190 -0.27678429 1 C C7 1 0.66445493 0.77910675 1.26231290 1
-154.247119
74
74
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48100000 _cell_length_b 3.67024380 _cell_length_c 10.21392479 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 93.00672099 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.13048561 0.32693468 1.0 C C1 1 0.50000000 0.36951439 0.17306532 1.0 C C2 1 0.50000000 0.63030985 0.43908078 1.0 C C3 1 0.50000000 0.36951439 0.32693468 1.0 C C4 1 0.00000000 0.86969015 0.06091922 1.0 C C5 1 0.50000000 0.63030985 0.06091922 1.0 C C6 1 0.00000000 0.13048561 0.17306532 1.0 C C7 1 0.00000000 0.86969015 0.43908078 1.0 C C8 1 0.50000000 0.63048561 0.82693468 1.0 C C9 1 0.00000000 0.86951439 0.67306532 1.0 C C10 1 0.00000000 0.13030985 0.93908078 1.0 C C11 1 0.00000000 0.86951439 0.82693468 1.0 C C12 1 0.50000000 0.36969015 0.56091922 1.0 C C13 1 0.00000000 0.13030985 0.56091922 1.0 C C14 1 0.50000000 0.63048561 0.67306532 1.0 C C15 1 0.50000000 0.36969015 0.93908078 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.70125695, 0.55481993, 0.18694241 ], [ 0.13040255, 0.24590193, 0.96200456 ], [ 0.92532733, 0.77911213, 0.02320495999999994 ], [ 0.44018604, 0.55472117, 0.4257432 ], [ 0.90635401, 0.021535660000000068, 0.12565398000000005 ], [ 0.16721578, 0.02154973, 0.88651068 ], [ 0.39146802, 0.2460219, 0.7232157100000001 ], [ 0.66445493, 0.77910675, 0.26231289999999996 ] ]
[ [ 2.055363030572468, 0, -1.3895480605419737 ], [ -2.0499479002745096, 5.106958935369104, -5.2583501430309685 ], [ 0, 0, 4.4303 ] ]
[ true, true, true ]
C-106833-6336-49
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43067000 _cell_length_b 5.69162000 _cell_length_c 4.20500000 _cell_angle_alpha 96.19860000 _cell_angle_beta 90.19530000 _cell_angle_gamma 99.84146000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 56.96850361 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.38367503 0.82589346 0.48134317 1 C C1 1 0.55957645 0.31752270 0.53203775 1 C C2 1 0.05957645 0.31752270 1.03203775 1 C C3 1 -0.11632497 -0.17410654 -0.01865683 1 C C4 1 0.05946883 0.31896430 0.69913384 1 C C5 1 0.88378265 0.82445186 0.31424708 1 C C6 1 0.38378265 0.82445186 0.81424708 1 C C7 1 0.55946883 0.31896430 0.19913384 1
-154.444375
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20257059 _cell_length_b 2.43207013 _cell_length_c 5.69162000 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.67179346 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 56.97085680 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.55069458 0.50000000 0.24581462 1.0 C C1 1 0.44930542 0.50000000 0.75418538 1.0 C C2 1 0.10390234 0.50000000 0.75274378 1.0 C C3 1 0.89609766 0.50000000 0.24725622 1.0 C C4 1 0.05069458 0.00000000 0.24581462 1.0 C C5 1 0.94930542 0.00000000 0.75418538 1.0 C C6 1 0.60390234 0.00000000 0.75274378 1.0 C C7 1 0.39609766 0.00000000 0.24725622 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.38367503, 0.82589346, 0.48134317 ], [ 0.55957645, 0.3175227, 0.53203775 ], [ 0.05957645, 0.3175227, 0.032037749999999976 ], [ 0.88367503, 0.82589346, 0.98134317 ], [ 0.05946883, 0.3189643, 0.69913384 ], [ 0.88378265, 0.82445186, 0.31424708 ], [ 0.38378265, 0.82445186, 0.81424708 ], [ 0.55946883, 0.3189643, 0.19913384 ] ]
[ [ 2.4306558793461677, 0, -0.008285233847576673 ], [ -0.9749264130629417, 5.5737223901376565, -0.6145530336678807 ], [ 0, 0, 4.205 ] ]
[ true, true, true ]
C-96672-9795-46
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42900000 _cell_length_b 5.51128000 _cell_length_c 3.21510000 _cell_angle_alpha 90.76883000 _cell_angle_beta 89.18030000 _cell_angle_gamma 102.35882000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.03615528 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.62052332 0.23521493 0.19558245 1 C C1 1 0.73060907 0.45599242 0.96916809 1 C C2 1 0.95412459 0.90204966 0.52959248 1 C C3 1 0.28693700 0.56780641 -0.14045573 1 C C4 1 0.06401291 0.12277732 0.30293538 1 C C5 1 0.39783051 0.79015706 0.63898193 1
-154.417739
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19971661 _cell_length_b 2.42900000 _cell_length_c 3.21510000 _cell_angle_alpha 90.00000000 _cell_angle_beta 121.28858305 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C4 _cell_volume 28.02758851 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.33385933 0.00000000 0.50162967 1.0 C C1 1 0.16614067 0.50000000 0.49837033 1.0 C C2 1 0.83385933 0.50000000 0.50162967 1.0 C C3 1 0.66614067 0.00000000 0.49837033 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.62052332, 0.23521493, 0.19558245 ], [ 0.73060907, 0.45599242, 0.96916809 ], [ 0.95412459, 0.90204966, 0.52959248 ], [ 0.286937, 0.56780641, 0.85954427 ], [ 0.06401291, 0.12277732, 0.30293538 ], [ 0.39783051, 0.79015706, 0.63898193 ] ]
[ [ 2.428751426563144, 0, 0.034749215350727405 ], [ -1.178660178932695, 5.383260962745242, -0.07395152453820437 ], [ 0, 0, 3.2151 ] ]
[ true, true, true ]
C-142787-7243-45
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52285000 _cell_length_b 4.45382000 _cell_length_c 4.30695000 _cell_angle_alpha 103.10617000 _cell_angle_beta 85.37761000 _cell_angle_gamma 82.46540000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 46.42070024 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.20265479 0.20437813 0.27689436 1 C C1 1 1.15200947 0.11598157 0.59546267 1 C C2 1 0.74130574 0.08397886 1.07657299 1 C C3 1 0.25074940 0.54556152 0.30789764 1 C C4 1 0.10127891 0.77544334 0.56443548 1 C C5 1 0.91376428 0.74376319 0.89756817 1 C C6 1 0.43818122 0.57659785 -0.02538925 1 C C7 1 0.61325909 0.23668684 0.79565985 1
-154.095269
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52285000 _cell_length_b 4.30695000 _cell_length_c 4.45382000 _cell_angle_alpha 103.10617000 _cell_angle_beta 97.53460000 _cell_angle_gamma 94.62239000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 46.42070024 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.47467734 0.84071585 0.04419828 1.0 C C1 1 0.52532266 0.15928415 0.95580172 1.0 C C2 1 0.93602639 0.64039448 0.92379901 1.0 C C3 1 0.42658273 0.87171913 0.38538167 1.0 C C4 1 0.57341727 0.12828087 0.61461833 1.0 C C5 1 0.76356785 0.46138966 0.58358334 1.0 C C6 1 0.23643215 0.53861034 0.41641666 1.0 C C7 1 0.06397361 0.35960552 0.07620099 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.20265479, 0.20437813, 0.27689436 ], [ 0.1520094700000001, 0.11598157, 0.59546267 ], [ 0.74130574, 0.08397886, 0.07657299000000006 ], [ 0.2507494, 0.54556152, 0.30789764 ], [ 0.10127891, 0.77544334, 0.56443548 ], [ 0.91376428, 0.74376319, 0.89756817 ], [ 0.43818122, 0.57659785, 0.97461075 ], [ 0.61325909, 0.23668684, 0.79565985 ] ]
[ [ 2.5146443352023433, 0, 0.20331254249250186 ], [ 0.667566708752749, 4.2861295056539355, -1.0099312563376672 ], [ 0, 0, 4.30695 ] ]
[ true, true, true ]
C-176663-4376-39
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45431000 _cell_length_b 4.59264000 _cell_length_c 5.35971000 _cell_angle_alpha 84.36274000 _cell_angle_beta 89.93751000 _cell_angle_gamma 74.49753000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 57.91397791 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.45159421 0.17675746 0.76479503 1 C C1 1 0.65227897 0.77263295 1.13992968 1 C C2 1 0.60972628 0.86399662 0.85805101 1 C C3 1 0.82758578 0.42185583 0.10694142 1 C C4 1 0.39053500 0.29217970 0.49474940 1 C C5 1 0.33828657 0.40295543 0.94131690 1 C C6 1 0.22136827 0.63172866 0.51301248 1 C C7 1 1.10983529 0.85779575 0.28630224 1 C C8 1 0.19226396 0.69908284 0.77264074 1 C C9 1 0.93831796 0.20085096 0.34442739 1
-154.206182
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85110973 _cell_length_b 2.45431000 _cell_length_c 5.35971000 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.83340360 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 115.82802475 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.87164833 0.50000000 0.76479503 1.0 C C1 1 0.57371058 0.00000000 0.13992968 1.0 C C2 1 0.52802875 0.00000000 0.85805101 1.0 C C3 1 0.74909914 0.00000000 0.10694142 1.0 C C4 1 0.81393721 0.50000000 0.49474940 1.0 C C5 1 0.75854935 0.50000000 0.94131690 1.0 C C6 1 0.64416273 0.50000000 0.51301248 1.0 C C7 1 0.53112918 0.50000000 0.28630224 1.0 C C8 1 0.61048564 0.50000000 0.77264074 1.0 C C9 1 0.85960158 0.00000000 0.34442739 1.0 C C10 1 0.37164833 0.00000000 0.76479503 1.0 C C11 1 0.07371058 0.50000000 0.13992968 1.0 C C12 1 0.02802875 0.50000000 0.85805101 1.0 C C13 1 0.24909914 0.50000000 0.10694142 1.0 C C14 1 0.31393721 0.00000000 0.49474940 1.0 C C15 1 0.25854935 0.00000000 0.94131690 1.0 C C16 1 0.14416273 0.00000000 0.51301248 1.0 C C17 1 0.03112918 0.00000000 0.28630224 1.0 C C18 1 0.11048564 0.00000000 0.77264074 1.0 C C19 1 0.35960158 0.50000000 0.34442739 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.45159421, 0.17675746, 0.76479503 ], [ 0.65227897, 0.77263295, 0.13992968000000006 ], [ 0.60972628, 0.86399662, 0.85805101 ], [ 0.82758578, 0.42185583, 0.10694142 ], [ 0.390535, 0.2921797, 0.4947494 ], [ 0.33828657, 0.40295543, 0.9413169 ], [ 0.22136827, 0.63172866, 0.51301248 ], [ 0.10983528999999992, 0.85779575, 0.28630224 ], [ 0.19226396, 0.69908284, 0.77264074 ], [ 0.93831796, 0.20085096, 0.34442739 ] ]
[ [ 2.454308540261163, 0, 0.0026768080091940398 ], [ 1.2270291369250288, 4.402637675458965, 0.45113541799142876 ], [ 0, 0, 5.35971 ] ]
[ true, true, true ]
C-106877-349-46
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43919000 _cell_length_b 6.01074000 _cell_length_c 6.24535000 _cell_angle_alpha 61.80259000 _cell_angle_beta 89.94159000 _cell_angle_gamma 78.29434000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 78.54168026 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.49824406 0.14849290 0.89518460 1 C C1 1 0.25874764 0.62550197 0.47079370 1 C C2 1 0.28080195 0.58398277 0.27080471 1 C C3 1 1.03419582 1.08584110 0.43046249 1 C C4 1 0.03889392 0.06776786 0.84270662 1 C C5 1 1.11970457 -0.09084225 0.70784123 1 C C6 1 -0.29500733 0.73711858 0.74973642 1 C C7 1 0.79765740 0.54825797 0.18454321 1 C C8 1 0.83375189 0.47894482 0.98758658 1 C C9 1 0.51188066 0.12786994 0.30737658 1 C C10 1 0.73870390 0.66578699 0.55394711 1 C C11 1 0.42008422 0.30691515 1.02982735 1
-154.224599
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.77146656 _cell_length_b 2.43919000 _cell_length_c 6.24535000 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.83803647 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 157.08346884 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.27003759 0.50000000 0.47376101 1.0 C C1 1 0.50854212 0.50000000 0.89815191 1.0 C C2 1 0.49145788 0.50000000 0.10184809 1.0 C C3 1 0.23871169 0.00000000 0.93848312 1.0 C C4 1 0.22996241 0.00000000 0.52623899 1.0 C C5 1 0.65037001 0.50000000 0.66110438 1.0 C C6 1 0.56435043 0.00000000 0.61920919 1.0 C C7 1 0.46992013 0.00000000 0.18440240 1.0 C C8 1 0.43564957 0.00000000 0.38079081 1.0 C C9 1 0.26128831 0.50000000 0.06151688 1.0 C C10 1 0.53007987 0.00000000 0.81559760 1.0 C C11 1 0.34962999 0.50000000 0.33889562 1.0 C C12 1 0.77003759 0.00000000 0.47376101 1.0 C C13 1 0.00854212 0.00000000 0.89815191 1.0 C C14 1 0.99145788 0.00000000 0.10184809 1.0 C C15 1 0.73871169 0.50000000 0.93848312 1.0 C C16 1 0.72996241 0.50000000 0.52623899 1.0 C C17 1 0.15037001 0.00000000 0.66110438 1.0 C C18 1 0.06435043 0.50000000 0.61920919 1.0 C C19 1 0.96992013 0.50000000 0.18440240 1.0 C C20 1 0.93564957 0.50000000 0.38079081 1.0 C C21 1 0.76128831 0.00000000 0.06151688 1.0 C C22 1 0.03007987 0.50000000 0.81559760 1.0 C C23 1 0.84962999 0.00000000 0.33889562 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.49824406, 0.1484929, 0.8951846 ], [ 0.25874764, 0.62550197, 0.4707937 ], [ 0.28080195, 0.58398277, 0.27080471 ], [ 0.0341958200000001, 0.08584109999999989, 0.43046249 ], [ 0.03889392, 0.06776786, 0.84270662 ], [ 0.1197045699999999, 0.90915775, 0.70784123 ], [ 0.70499267, 0.73711858, 0.74973642 ], [ 0.7976574, 0.54825797, 0.18454321 ], [ 0.83375189, 0.47894482, 0.98758658 ], [ 0.51188066, 0.12786994, 0.30737658 ], [ 0.7387039, 0.66578699, 0.55394711 ], [ 0.42008422, 0.30691515, 0.02982734999999992 ] ]
[ [ 2.4391887325094057, 0, 0.0024866240486250963 ], [ 1.2165884002187712, 5.155823014657328, 2.8401403228683897 ], [ 0, 0, 6.24535 ] ]
[ true, true, true ]
C-193913-8104-43
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49029000 _cell_length_b 3.59301000 _cell_length_c 4.35291000 _cell_angle_alpha 95.69931000 _cell_angle_beta 106.61085000 _cell_angle_gamma 69.67974000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.00014193 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.42299517 0.31920791 0.61629117 1 C C1 1 0.60412087 0.57936213 0.24040003 1 C C2 1 0.31474112 0.94998774 0.03441598 1 C C3 1 0.70936989 -0.05034660 0.82222197 1 C C4 1 0.23351551 0.31974606 0.24020470 1 C C5 1 0.79248384 0.57914795 0.61638956 1
-154.19547
69
69
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49029000 _cell_length_b 6.73880865 _cell_length_c 8.34251284 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 140.00061163 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50000000 0.18538725 0.59397278 1.0 C C1 1 0.00000000 0.31461275 0.40602722 1.0 C C2 1 0.00000000 0.50000000 0.30303519 1.0 C C3 1 0.00000000 0.50000000 0.69696481 1.0 C C4 1 0.50000000 0.18538725 0.40602722 1.0 C C5 1 0.00000000 0.31461275 0.59397278 1.0 C C6 1 0.50000000 0.68538725 0.09397278 1.0 C C7 1 0.00000000 0.81461275 0.90602722 1.0 C C8 1 0.00000000 0.00000000 0.80303519 1.0 C C9 1 0.00000000 0.00000000 0.19696481 1.0 C C10 1 0.50000000 0.68538725 0.90602722 1.0 C C11 1 0.00000000 0.81461275 0.09397278 1.0 C C12 1 0.00000000 0.18538725 0.09397278 1.0 C C13 1 0.50000000 0.31461275 0.90602722 1.0 C C14 1 0.50000000 0.50000000 0.80303519 1.0 C C15 1 0.50000000 0.50000000 0.19696481 1.0 C C16 1 0.00000000 0.18538725 0.90602722 1.0 C C17 1 0.50000000 0.31461275 0.09397278 1.0 C C18 1 0.00000000 0.68538725 0.59397278 1.0 C C19 1 0.50000000 0.81461275 0.40602722 1.0 C C20 1 0.50000000 0.00000000 0.30303519 1.0 C C21 1 0.50000000 0.00000000 0.69696481 1.0 C C22 1 0.00000000 0.68538725 0.40602722 1.0 C C23 1 0.50000000 0.81461275 0.59397278 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.42299517, 0.31920791, 0.61629117 ], [ 0.60412087, 0.57936213, 0.24040003 ], [ 0.31474112, 0.94998774, 0.03441598 ], [ 0.70936989, 0.9496534, 0.82222197 ], [ 0.23351551, 0.31974606, 0.2402047 ], [ 0.79248384, 0.57914795, 0.61638956 ] ]
[ [ 2.3863663557423616, 0, -0.7118987991849131 ], [ 1.1956278701219305, 3.3694033254777875, -0.3568137981453685 ], [ 0, 0, 4.35291 ] ]
[ true, true, true ]
C-136258-6886-20
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.50936000 _cell_length_b 4.97783000 _cell_length_c 6.91235000 _cell_angle_alpha 130.18729000 _cell_angle_beta 111.24681000 _cell_angle_gamma 90.08277000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.02384655 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.06781569 0.59639284 0.68825948 1 C C1 1 0.26153539 1.01689468 0.87938001 1 C C2 1 0.09351352 0.12356091 0.71114251 1 C C3 1 0.23522454 0.48952029 0.85616721 1 C C4 1 0.11306515 1.04568186 0.23190204 1 C C5 1 0.55899190 0.83102802 0.17906747 1 C C6 1 0.21663412 0.56744465 0.33583175 1 C C7 1 0.94293158 0.15604252 1.06054773 1 C C8 1 0.77043466 0.78200841 0.38852076 1 C C9 1 0.38672137 0.45711403 0.50718185 1
-154.239168
10
10
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67351851 _cell_length_b 2.50936000 _cell_length_c 4.97783000 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.31111901 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.02391263 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.90443973 0.50000000 0.11469066 1.0 C C1 1 0.09556027 0.50000000 0.88530934 1.0 C C2 1 0.92732276 0.50000000 0.61040562 1.0 C C3 1 0.07267724 0.50000000 0.38959438 1.0 C C4 1 0.44808230 0.00000000 0.20904420 1.0 C C5 1 0.39524773 0.50000000 0.37086347 1.0 C C6 1 0.55191770 0.00000000 0.79095580 1.0 C C7 1 0.27672798 0.00000000 0.92732923 1.0 C C8 1 0.60475227 0.50000000 0.62913653 1.0 C C9 1 0.72327202 0.00000000 0.07267077 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.06781569, 0.59639284, 0.68825948 ], [ 0.26153539, 0.01689468000000005, 0.87938001 ], [ 0.09351352, 0.12356091, 0.71114251 ], [ 0.23522454, 0.48952029, 0.85616721 ], [ 0.11306515, 0.04568185999999996, 0.23190204 ], [ 0.5589919, 0.83102802, 0.17906747 ], [ 0.21663412, 0.56744465, 0.33583175 ], [ 0.94293158, 0.15604252, 0.06054772999999991 ], [ 0.77043466, 0.78200841, 0.38852076 ], [ 0.38672137, 0.45711403, 0.50718185 ] ]
[ [ 2.3387938998684, 0, -0.9093573024605676 ], [ -1.2566406136942425, 3.5891271443676582, -3.2121351494726085 ], [ 0, 0, 6.91235 ] ]
[ true, true, true ]
C-157693-2980-15
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44200000 _cell_length_b 5.41605000 _cell_length_c 5.15293000 _cell_angle_alpha 78.48269000 _cell_angle_beta 118.26063000 _cell_angle_gamma 89.99515000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.46573657 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.21043399 0.13095304 0.60479028 1 C C1 1 0.87861444 -0.00412351 0.77289107 1 C C2 1 0.45149276 0.74907466 0.34477297 1 C C3 1 0.71459340 0.42669106 1.10988694 1 C C4 1 0.24285752 0.01071905 0.13704897 1 C C5 1 0.83707034 0.14677052 0.23139626 1 C C6 1 0.20753390 0.39870326 0.60130238 1 C C7 1 -0.07138643 0.58416315 0.32054332 1 C C8 1 0.41086280 0.56418499 0.80625344 1 C C9 1 0.80629888 0.73577578 0.70134777 1
-154.07797
6
6
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53871625 _cell_length_b 2.44200000 _cell_length_c 5.41605000 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.10460426 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.46574330 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.60479028 0.00000000 0.86904696 1.0 C C1 1 0.77289107 0.50000000 0.00412351 1.0 C C2 1 0.34477297 0.50000000 0.25092534 1.0 C C3 1 0.10988694 0.00000000 0.57330894 1.0 C C4 1 0.13704897 0.50000000 0.98928095 1.0 C C5 1 0.23139626 0.00000000 0.85322948 1.0 C C6 1 0.60130238 0.00000000 0.60129674 1.0 C C7 1 0.32054332 0.00000000 0.41583685 1.0 C C8 1 0.80625344 0.00000000 0.43581501 1.0 C C9 1 0.70134777 0.50000000 0.26422422 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.21043399, 0.13095304, 0.60479028 ], [ 0.87861444, 0.99587649, 0.77289107 ], [ 0.45149276, 0.74907466, 0.34477297 ], [ 0.7145934, 0.42669106, 0.10988693999999999 ], [ 0.24285752, 0.01071905, 0.13704897 ], [ 0.83707034, 0.14677052, 0.23139626 ], [ 0.2075339, 0.39870326, 0.60130238 ], [ 0.92861357, 0.58416315, 0.32054332 ], [ 0.4108628, 0.56418499, 0.80625344 ], [ 0.80629888, 0.73577578, 0.70134777 ] ]
[ [ 2.150920703186465, 0, -1.1562457042531415 ], [ 0.5818309314072881, 5.275003873184427, 1.0813900811673012 ], [ 0, 0, 5.15293 ] ]
[ true, true, true ]
C-9622-7780-8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43644000 _cell_length_b 5.79754000 _cell_length_c 8.02344000 _cell_angle_alpha 52.97977000 _cell_angle_beta 90.09819000 _cell_angle_gamma 78.16606000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 87.42134150 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.43133206 0.49408387 0.32615129 1 C C1 1 0.64879657 0.04171086 0.45570010 1 C C2 1 -0.01587171 0.37982466 0.62620279 1 C C3 1 0.50930139 0.32741775 0.23583404 1 C C4 1 0.20260086 0.93480512 0.56401289 1 C C5 1 1.07615167 0.18755553 0.03425508 1 C C6 1 0.58107453 0.17766323 0.95088748 1 C C7 1 0.29819142 0.74680671 0.78623003 1 C C8 1 0.85035261 0.64374225 0.89503468 1 C C9 1 0.98974519 0.36390686 0.11730096 1 C C10 1 0.52661392 0.29401229 0.73716043 1 C C11 1 0.92894198 0.49936676 0.41174772 1
-154.162629
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.34879024 _cell_length_b 2.43644000 _cell_length_c 8.02344000 _cell_angle_alpha 90.00000000 _cell_angle_beta 127.99055051 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 174.84531265 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.07458407 0.00000000 0.32615129 1.0 C C1 1 0.30077058 0.00000000 0.45570010 1.0 C C2 1 0.63171368 0.00000000 0.62620279 1.0 C C3 1 0.15791713 0.00000000 0.23583404 1.0 C C4 1 0.35422345 0.50000000 0.56401289 1.0 C C5 1 0.22784824 0.50000000 0.03425508 1.0 C C6 1 0.73279439 0.50000000 0.95088748 1.0 C C7 1 0.44822265 0.50000000 0.78623003 1.0 C C8 1 0.49975488 0.00000000 0.89503468 1.0 C C9 1 0.13967258 0.50000000 0.11730096 1.0 C C10 1 0.67461986 0.50000000 0.73716043 1.0 C C11 1 0.07194263 0.50000000 0.41174772 1.0 C C12 1 0.57458407 0.50000000 0.32615129 1.0 C C13 1 0.80077058 0.50000000 0.45570010 1.0 C C14 1 0.13171368 0.50000000 0.62620279 1.0 C C15 1 0.65791713 0.50000000 0.23583404 1.0 C C16 1 0.85422345 0.00000000 0.56401289 1.0 C C17 1 0.72784824 0.00000000 0.03425508 1.0 C C18 1 0.23279439 0.00000000 0.95088748 1.0 C C19 1 0.94822265 0.00000000 0.78623003 1.0 C C20 1 0.99975488 0.50000000 0.89503468 1.0 C C21 1 0.63967258 0.00000000 0.11730096 1.0 C C22 1 0.17461986 0.00000000 0.73716043 1.0 C C23 1 0.57194263 0.00000000 0.41174772 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.43133206, 0.49408387, 0.32615129 ], [ 0.64879657, 0.04171086, 0.4557001 ], [ 0.98412829, 0.37982466, 0.62620279 ], [ 0.50930139, 0.32741775, 0.23583404 ], [ 0.20260086, 0.93480512, 0.56401289 ], [ 0.07615167, 0.18755553, 0.03425508 ], [ 0.58107453, 0.17766323, 0.95088748 ], [ 0.29819142, 0.74680671, 0.78623003 ], [ 0.85035261, 0.64374225, 0.89503468 ], [ 0.98974519, 0.36390686, 0.11730096 ], [ 0.52661392, 0.29401229, 0.73716043 ], [ 0.92894198, 0.49936676, 0.41174772 ] ]
[ [ 2.436436422209767, 0, -0.004175419699879999 ], [ 1.1949193832986857, 4.4719997865864105, 3.490681255541414 ], [ 0, 0, 8.02344 ] ]
[ true, true, true ]
C-141061-9666-15
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90879000 _cell_length_b 4.81706000 _cell_length_c 3.63823000 _cell_angle_alpha 67.82719000 _cell_angle_beta 110.46375000 _cell_angle_gamma 91.75755000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.92685170 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.01012520 0.90607598 1.01265670 1 C C1 1 0.98558619 0.71536101 0.79771328 1 C C2 1 -0.01863322 0.21523364 0.73624959 1 C C3 1 0.98462512 0.40607904 -0.04931824 1 C C4 1 -0.01452137 0.90673601 0.39160587 1 C C5 1 -0.01575322 0.21468822 0.35664530 1
-154.133496
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.90879000 _cell_length_b 3.63823000 _cell_length_c 4.81792847 _cell_angle_alpha 67.80186134 _cell_angle_beta 76.50592785 _cell_angle_gamma 69.53625000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.92685170 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50425401 0.01637528 0.84542117 1.0 C C1 1 0.49996540 0.42203367 0.65470620 1.0 C C2 1 0.49574599 0.98362472 0.15457883 1.0 C C3 1 0.50003460 0.57796633 0.34529380 1.0 C C4 1 0.49985784 0.63676607 0.84608120 1.0 C C5 1 0.50014216 0.36323393 0.15391880 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.9898747999999999, 0.90607598, 0.012656699999999965 ], [ 0.98558619, 0.71536101, 0.79771328 ], [ 0.98136678, 0.21523364, 0.73624959 ], [ 0.98462512, 0.40607904, 0.95068176 ], [ 0.98547863, 0.90673601, 0.39160587 ], [ 0.98424678, 0.21468822, 0.3566453 ] ]
[ [ 2.7252266521933914, 0, -1.016955730735021 ], [ 0.5207069383092772, 4.430342477556248, 1.8179650325452748 ], [ 0, 0, 3.63823 ] ]
[ true, true, true ]
C-152601-7805-26
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42959000 _cell_length_b 2.42915000 _cell_length_c 8.47313000 _cell_angle_alpha 97.69787000 _cell_angle_beta 90.33965000 _cell_angle_gamma 120.01014000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.75748173 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.63885136 0.02427311 0.75843248 1 C C1 1 0.53365744 0.80734872 0.41663584 1 C C2 1 0.44699853 0.56424738 0.08766127 1 C C3 1 0.78019499 0.23052490 0.08702698 1 C C4 1 0.97208148 0.69092358 0.75824242 1 C C5 1 0.20020919 0.14083012 0.41681411 1
-154.457546
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20800723 _cell_length_b 2.42899768 _cell_length_c 8.49592113 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.01552066 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 85.51548209 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.73415937 0.00000000 0.75843248 1.0 C C1 1 0.61912628 0.00000000 0.41663584 1.0 C C2 1 0.53286022 0.00000000 0.08766127 1.0 C C3 1 0.36600254 0.50000000 0.08702698 1.0 C C4 1 0.56735417 0.50000000 0.75824242 1.0 C C5 1 0.28575060 0.00000000 0.41681411 1.0 C C6 1 0.23415937 0.50000000 0.75843248 1.0 C C7 1 0.11912628 0.50000000 0.41663584 1.0 C C8 1 0.03286022 0.50000000 0.08766127 1.0 C C9 1 0.86600254 0.00000000 0.08702698 1.0 C C10 1 0.06735417 0.00000000 0.75824242 1.0 C C11 1 0.78575060 0.50000000 0.41681411 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.63885136, 0.02427311, 0.75843248 ], [ 0.53365744, 0.80734872, 0.41663584 ], [ 0.44699853, 0.56424738, 0.08766127 ], [ 0.78019499, 0.2305249, 0.08702698 ], [ 0.97208148, 0.69092358, 0.75824242 ], [ 0.20020919, 0.14083012, 0.41681411 ] ]
[ [ 2.429547310634785, 0, -0.014402551415821068 ], [ -1.2168975317664747, 2.077030570191806, -0.325383051447618 ], [ 0, 0, 8.47313 ] ]
[ true, true, true ]
C-80157-890-25
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37516000 _cell_length_b 4.18985000 _cell_length_c 5.93447000 _cell_angle_alpha 121.17027000 _cell_angle_beta 126.27781000 _cell_angle_gamma 75.62132000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.68267753 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.70548510 -0.05818634 0.86606286 1 C C1 1 0.80232850 0.57250299 0.73138189 1 C C2 1 0.25197364 0.44344020 0.89209690 1 C C3 1 0.25525420 1.07031831 0.70496222 1 C C4 1 0.70408704 0.57446970 0.18315819 1 C C5 1 0.80287315 0.93954238 0.41377604 1 C C6 1 0.49721577 0.25815316 0.42012655 1 C C7 1 0.01064340 0.25710669 0.17727125 1
-154.195252
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.37516000 _cell_length_b 4.18985000 _cell_length_c 4.66323087 _cell_angle_alpha 65.19433749 _cell_angle_beta 78.81964305 _cell_angle_gamma 75.62132000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.68267753 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.38423782 0.61731485 0.56734048 1.0 C C1 1 0.61576218 0.38268515 0.43265952 1.0 C C2 1 0.90469232 0.09290735 0.59337452 1.0 C C3 1 0.09530768 0.90709265 0.40662548 1.0 C C4 1 0.06574442 0.93287556 0.88443582 1.0 C C5 1 0.93425558 0.06712444 0.11556418 1.0 C C6 1 0.62190479 0.37959066 0.12140417 1.0 C C7 1 0.37809521 0.62040934 0.87859583 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.7054851, 0.94181366, 0.86606286 ], [ 0.8023285, 0.57250299, 0.73138189 ], [ 0.25197364, 0.4434402, 0.8920969 ], [ 0.2552542, 0.07031831, 0.70496222 ], [ 0.70408704, 0.5744697, 0.18315819 ], [ 0.80287315, 0.93954238, 0.41377604 ], [ 0.49721577, 0.25815316, 0.42012655 ], [ 0.0106434, 0.25710669, 0.17727125 ] ]
[ [ 2.720910553550283, 0, -1.9970855728232315 ], [ -0.30105408395014793, 3.5723105610074484, -2.1685955632048093 ], [ 0, 0, 5.93447 ] ]
[ true, true, true ]
C-113064-8679-51
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43136000 _cell_length_b 4.86369000 _cell_length_c 5.65719000 _cell_angle_alpha 89.71518000 _cell_angle_beta 92.69344000 _cell_angle_gamma 59.79950000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.72273732 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.73380872 0.69153976 0.78977060 1 C C1 1 0.73380872 0.19153976 0.78977060 1 C C2 1 0.54968426 -0.01061717 0.28887838 1 C C3 1 0.54968426 0.48938283 0.28887838 1 C C4 1 0.40039221 1.02453622 0.79015560 1 C C5 1 0.21618796 0.32241049 0.28908531 1 C C6 1 0.21618796 0.82241049 0.28908531 1 C C7 1 0.40039221 0.52453622 0.79015560 1
-154.464389
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20272913 _cell_length_b 2.43184500 _cell_length_c 5.65719000 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.28186683 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.72384101 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.36912927 0.50000000 0.24965736 1.0 C C1 1 0.46119150 0.00000000 0.75054957 1.0 C C2 1 0.03880850 0.50000000 0.24945043 1.0 C C3 1 0.13087073 0.00000000 0.75034264 1.0 C C4 1 0.86912927 0.00000000 0.24965736 1.0 C C5 1 0.96119150 0.50000000 0.75054957 1.0 C C6 1 0.53880850 0.00000000 0.24945043 1.0 C C7 1 0.63087073 0.50000000 0.75034264 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.73380872, 0.69153976, 0.7897706 ], [ 0.73380872, 0.19153976, 0.7897706 ], [ 0.54968426, 0.98938283, 0.28887838 ], [ 0.54968426, 0.48938283, 0.28887838 ], [ 0.40039221, 0.02453622000000011, 0.7901556 ], [ 0.21618796, 0.32241049, 0.28908531 ], [ 0.21618796, 0.82241049, 0.28908531 ], [ 0.40039221, 0.52453622, 0.7901556 ] ]
[ [ 2.4286739837347087, 0, -0.11425467312184663 ], [ 2.4504129845415803, 4.201234588580942, 0.024177530914997268 ], [ 0, 0, 5.65719 ] ]
[ true, true, true ]
C-142803-3273-22
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47426000 _cell_length_b 5.76703000 _cell_length_c 4.87109000 _cell_angle_alpha 94.73100000 _cell_angle_beta 94.22171000 _cell_angle_gamma 96.93155000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 68.51734816 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.80421314 0.48227058 0.22699406 1 C C1 1 1.32738902 0.86715760 0.46297028 1 C C2 1 0.48698180 -0.08538609 0.83801816 1 C C3 1 0.29234560 0.48373797 0.05706094 1 C C4 1 0.07514698 0.03996534 -0.04383292 1 C C5 1 0.80064554 0.58477336 0.69190569 1 C C6 1 0.21222758 1.08676719 0.28645376 1 C C7 1 1.20118716 0.27341909 0.83998080 1 C C8 1 0.74451671 0.23989677 0.36618504 1 C C9 1 -0.28394196 0.32130097 0.67059554 1 C C10 1 0.80671361 0.70662754 0.43502010 1 C C11 1 0.35582402 0.66018277 0.85138795 1
-154.132752
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47426000 _cell_length_b 4.87109000 _cell_length_c 5.76703000 _cell_angle_alpha 94.73100000 _cell_angle_beta 96.93155000 _cell_angle_gamma 94.22171000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 68.51734816 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.19578686 0.77300594 0.51772942 1.0 C C1 1 0.67261098 0.53702972 0.13284240 1.0 C C2 1 0.51301820 0.16198184 0.08538609 1.0 C C3 1 0.70765440 0.94293906 0.51626203 1.0 C C4 1 0.92485302 0.04383292 0.96003466 1.0 C C5 1 0.19935446 0.30809431 0.41522664 1.0 C C6 1 0.78777242 0.71354624 0.91323281 1.0 C C7 1 0.79881284 0.16001920 0.72658091 1.0 C C8 1 0.25548329 0.63381496 0.76010323 1.0 C C9 1 0.28394196 0.32940446 0.67869903 1.0 C C10 1 0.19328639 0.56497990 0.29337246 1.0 C C11 1 0.64417598 0.14861205 0.33981723 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.80421314, 0.48227058, 0.22699406 ], [ 0.32738902000000003, 0.8671576, 0.46297028 ], [ 0.4869818, 0.91461391, 0.83801816 ], [ 0.2923456, 0.48373797, 0.05706094 ], [ 0.07514698, 0.03996534, 0.95616708 ], [ 0.80064554, 0.58477336, 0.69190569 ], [ 0.21222758, 0.08676719, 0.28645376 ], [ 0.20118715999999992, 0.27341909, 0.8399808 ], [ 0.74451671, 0.23989677, 0.36618504 ], [ 0.7160580400000001, 0.32130097, 0.67059554 ], [ 0.80671361, 0.70662754, 0.4350201 ], [ 0.35582402, 0.66018277, 0.85138795 ] ]
[ [ 2.467546478688669, 0, -0.18214533513420064 ], [ -0.7329897299279896, 5.700448814769634, -0.47565153937685656 ], [ 0, 0, 4.87109 ] ]
[ true, true, true ]
C-134183-9440-50
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49438000 _cell_length_b 3.42165000 _cell_length_c 7.20777000 _cell_angle_alpha 61.76176000 _cell_angle_beta 80.06961000 _cell_angle_gamma 68.61762000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 50.46579052 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.23145139 0.91141156 0.51923814 1 C C1 1 0.01171667 0.41293819 0.46407800 1 C C2 1 0.81751838 0.39847701 0.85867077 1 C C3 1 0.01110373 0.85831265 0.01912274 1 C C4 1 0.42497757 0.69168824 0.35869617 1 C C5 1 0.42479809 -0.07411707 0.12487858 1 C C6 1 0.81796561 0.63248198 0.62484247 1 C C7 1 0.23125017 0.46636244 -0.03579506 1
-154.087653
63
63
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49438000 _cell_length_b 6.37226188 _cell_length_c 6.34996812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 100.93174362 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50000000 0.39013264 0.02758007 1.0 C C1 1 0.50000000 0.60986736 0.97241993 1.0 C C2 1 0.00000000 0.30338168 0.36701270 1.0 C C3 1 0.50000000 0.60986736 0.52758007 1.0 C C4 1 0.50000000 0.19661832 0.86701270 1.0 C C5 1 0.50000000 0.19661832 0.63298730 1.0 C C6 1 0.00000000 0.30338168 0.13298730 1.0 C C7 1 0.50000000 0.39013264 0.47241993 1.0 C C8 1 0.00000000 0.89013264 0.02758007 1.0 C C9 1 0.00000000 0.10986736 0.97241993 1.0 C C10 1 0.50000000 0.80338168 0.36701270 1.0 C C11 1 0.00000000 0.10986736 0.52758007 1.0 C C12 1 0.00000000 0.69661832 0.86701270 1.0 C C13 1 0.00000000 0.69661832 0.63298730 1.0 C C14 1 0.50000000 0.80338168 0.13298730 1.0 C C15 1 0.00000000 0.89013264 0.47241993 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.23145138999999992, 0.91141156, 0.51923814 ], [ 0.01171667, 0.41293819, 0.464078 ], [ 0.81751838, 0.39847701, 0.85867077 ], [ 0.01110373, 0.85831265, 0.01912274 ], [ 0.42497757, 0.69168824, 0.35869617 ], [ 0.42479809, 0.92588293, 0.12487858 ], [ 0.81796561, 0.63248198, 0.62484247 ], [ 0.23125017, 0.46636244, 0.96420494 ] ]
[ [ 2.4570091874605438, 0, 0.4301597809355013 ], [ 0.983044309381741, 2.849635945388043, 1.6189155589605566 ], [ 0, 0, 7.20777 ] ]
[ true, true, true ]
C-193918-9298-26
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70825000 _cell_length_b 4.97612000 _cell_length_c 4.68876000 _cell_angle_alpha 96.17847000 _cell_angle_beta 102.62894000 _cell_angle_gamma 118.92033000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 90.85200394 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.83735417 0.60992685 0.58079636 1 C C1 1 0.41480206 0.77599449 1.09345989 1 C C2 1 0.88033288 0.18560646 0.60946682 1 C C3 1 0.06433560 0.19673207 0.43316627 1 C C4 1 0.10795582 0.77203608 0.46171635 1 C C5 1 0.53073917 0.60497345 0.94946883 1 C C6 1 -0.00639396 0.11326500 0.89111307 1 C C7 1 0.37390727 0.24449867 0.90822513 1 C C8 1 0.62662235 0.26137698 0.47373251 1 C C9 1 0.15797823 0.62208892 0.22862069 1 C C10 1 0.78653376 0.75973811 0.81345621 1 C C11 1 0.57127914 0.13672144 0.13414606 1 C C12 1 0.95126751 0.26811220 0.15118181 1 C C13 1 0.31799009 0.12096758 0.56845722 1
-154.153442
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68876000 _cell_length_b 4.70825000 _cell_length_c 4.92639473 _cell_angle_alpha 62.14438908 _cell_angle_beta 71.47811406 _cell_angle_gamma 77.37106000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 90.85200394 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.55954001 0.55424621 0.08105462 1.0 C C1 1 0.07220354 0.14286596 0.91498698 1.0 C C2 1 0.58821046 0.08694711 0.50537501 1.0 C C3 1 0.41178954 0.91305289 0.49462499 1.0 C C4 1 0.44045999 0.44575379 0.91894538 1.0 C C5 1 0.92779646 0.85713404 0.08501302 1.0 C C6 1 0.86985671 0.90133249 0.57771647 1.0 C C7 1 0.88696877 0.65226493 0.44648280 1.0 C C8 1 0.45247615 0.41642816 0.42960449 1.0 C C9 1 0.20736433 0.24578422 0.06889255 1.0 C C10 1 0.79263567 0.75421578 0.93110745 1.0 C C11 1 0.11303123 0.34773507 0.55351720 1.0 C C12 1 0.13014329 0.09866751 0.42228353 1.0 C C13 1 0.54752385 0.58357184 0.57039551 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
14
[ [ 0.83735417, 0.60992685, 0.58079636 ], [ 0.41480206, 0.77599449, 0.0934598900000001 ], [ 0.88033288, 0.18560646, 0.60946682 ], [ 0.0643356, 0.19673207, 0.43316627 ], [ 0.10795582, 0.77203608, 0.46171635 ], [ 0.53073917, 0.60497345, 0.94946883 ], [ 0.99360604, 0.113265, 0.89111307 ], [ 0.37390727, 0.24449867, 0.90822513 ], [ 0.62662235, 0.26137698, 0.47373251 ], [ 0.15797823, 0.62208892, 0.22862069 ], [ 0.78653376, 0.75973811, 0.81345621 ], [ 0.57127914, 0.13672144, 0.13414606 ], [ 0.95126751, 0.2681122, 0.15118181 ], [ 0.31799009, 0.12096758, 0.56845722 ] ]
[ [ 4.594340735520859, 0, -1.0293936411468887 ], [ -2.586075596950459, 4.217482668020824, -0.5355587794082736 ], [ 0, 0, 4.68876 ] ]
[ true, true, true ]
C-134208-315-61
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48302000 _cell_length_b 5.45095000 _cell_length_c 5.97407000 _cell_angle_alpha 65.84933000 _cell_angle_beta 101.90356000 _cell_angle_gamma 89.87333000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 71.85370470 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.75502338 0.37066839 0.61729761 1 C C1 1 0.09230849 0.07458882 0.29095371 1 C C2 1 0.73627986 0.66686340 0.58621613 1 C C3 1 0.41902919 0.41724788 0.94622262 1 C C4 1 1.07343533 0.62020385 0.25735733 1 C C5 1 0.40001273 0.96292716 -0.08753519 1 C C6 1 0.33263653 0.25405551 0.77323780 1 C C7 1 0.55974884 0.23235329 0.22769140 1 C C8 1 0.87687805 0.59411853 0.86417013 1 C C9 1 0.15859496 0.78355704 0.43045980 1 C C10 1 0.93300024 0.80513982 -0.02393665 1 C C11 1 0.61638110 0.44329961 0.33965211 1
-154.167839
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.69122394 _cell_length_b 2.48302000 _cell_length_c 5.45095000 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.74610240 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 143.70779856 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.99062824 0.50000000 0.85190250 1.0 C C1 1 0.15380019 0.00000000 0.55582292 1.0 C C2 1 0.00937176 0.50000000 0.14809750 1.0 C C3 1 0.82616574 0.00000000 0.89848198 1.0 C C4 1 0.17383426 0.00000000 0.10151802 1.0 C C5 1 0.84619981 0.00000000 0.44417708 1.0 C C6 1 0.91265814 0.00000000 0.73528961 1.0 C C7 1 0.18543135 0.50000000 0.71358739 1.0 C C8 1 0.86719198 0.50000000 0.07535263 1.0 C C9 1 0.08734186 0.00000000 0.26471039 1.0 C C10 1 0.81456865 0.50000000 0.28641261 1.0 C C11 1 0.13280802 0.50000000 0.92464737 1.0 C C12 1 0.49062824 0.00000000 0.85190250 1.0 C C13 1 0.65380019 0.50000000 0.55582292 1.0 C C14 1 0.50937176 0.00000000 0.14809750 1.0 C C15 1 0.32616574 0.50000000 0.89848198 1.0 C C16 1 0.67383426 0.50000000 0.10151802 1.0 C C17 1 0.34619981 0.50000000 0.44417708 1.0 C C18 1 0.41265814 0.50000000 0.73528961 1.0 C C19 1 0.68543135 0.00000000 0.71358739 1.0 C C20 1 0.36719198 0.00000000 0.07535263 1.0 C C21 1 0.58734186 0.50000000 0.26471039 1.0 C C22 1 0.31456865 0.00000000 0.28641261 1.0 C C23 1 0.63280802 0.00000000 0.92464737 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.75502338, 0.37066839, 0.61729761 ], [ 0.09230849, 0.07458882, 0.29095371 ], [ 0.73627986, 0.6668634, 0.58621613 ], [ 0.41902919, 0.41724788, 0.94622262 ], [ 0.07343532999999991, 0.62020385, 0.25735733 ], [ 0.40001273, 0.96292716, 0.91246481 ], [ 0.33263653, 0.25405551, 0.7732378 ], [ 0.55974884, 0.23235329, 0.2276914 ], [ 0.87687805, 0.59411853, 0.86417013 ], [ 0.15859496, 0.78355704, 0.4304598 ], [ 0.93300024, 0.80513982, 0.97606335 ], [ 0.6163811, 0.44329961, 0.33965211 ] ]
[ [ 2.429625562465692, 0, -0.5121600790897987 ], [ 0.48243498094721765, 4.950391080575037, 2.2301884541494634 ], [ 0, 0, 5.97407 ] ]
[ true, true, true ]
C-193944-7687-35
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46288000 _cell_length_b 3.38999000 _cell_length_c 6.09028000 _cell_angle_alpha 60.19677000 _cell_angle_beta 78.32881000 _cell_angle_gamma 68.73906000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 41.10482856 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.69599750 0.22998017 0.62209549 1 C C1 1 0.65668097 1.02466471 0.89752782 1 C C2 1 0.29084769 0.16640205 0.49606135 1 C C3 1 0.11285583 0.71935429 0.29945030 1 C C4 1 1.14100111 -0.07073314 0.02390038 1 C C5 1 0.51899389 0.78229972 0.42550516 1
-154.161071
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31852690 _cell_length_b 2.46288000 _cell_length_c 5.29721489 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.22831885 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 82.20968582 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.79179363 0.00000000 0.83867740 1.0 C C1 1 0.75673520 0.00000000 0.56324507 1.0 C C2 1 0.88659976 0.50000000 0.96471154 1.0 C C3 1 0.20820637 0.00000000 0.16132260 1.0 C C4 1 0.74326480 0.50000000 0.43675493 1.0 C C5 1 0.11340024 0.50000000 0.03528846 1.0 C C6 1 0.29179363 0.50000000 0.83867740 1.0 C C7 1 0.25673520 0.50000000 0.56324507 1.0 C C8 1 0.38659976 0.00000000 0.96471154 1.0 C C9 1 0.70820637 0.50000000 0.16132260 1.0 C C10 1 0.24326480 0.00000000 0.43675493 1.0 C C11 1 0.61340024 0.00000000 0.03528846 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.6959975, 0.22998017, 0.62209549 ], [ 0.65668097, 0.024664709999999923, 0.89752782 ], [ 0.29084769, 0.16640205, 0.49606135 ], [ 0.11285583, 0.71935429, 0.2994503 ], [ 0.14100110999999993, 0.92926686, 0.02390038 ], [ 0.51899389, 0.78229972, 0.42550516 ] ]
[ [ 2.411959104412072, 0, 0.49822803317729747 ], [ 0.9071735197458709, 2.798244388909057, 1.6849025921728722 ], [ 0, 0, 6.09028 ] ]
[ true, true, true ]
C-142751-9264-15
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51156000 _cell_length_b 6.00837000 _cell_length_c 4.85905000 _cell_angle_alpha 82.47139000 _cell_angle_beta 107.73047000 _cell_angle_gamma 96.61994000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 69.01891810 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.37763881 0.97422738 0.14867154 1 C C1 1 0.55442199 0.64486170 1.00111188 1 C C2 1 0.99051673 0.48832814 1.00579433 1 C C3 1 0.21252011 0.46408431 0.53781226 1 C C4 1 0.71865059 0.13914383 0.68180055 1 C C5 1 0.80248947 0.38725479 0.71548210 1 C C6 1 0.85385612 0.82212328 0.21141352 1 C C7 1 0.52856417 0.17549135 0.32923723 1 C C8 1 1.12693518 0.70700545 0.49253034 1 C C9 1 0.26036076 1.02203467 0.80934958 1 C C10 1 0.04629562 0.32412470 0.27803858 1 C C11 1 0.29204235 0.79255799 0.74029329 1
-154.18895
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51156000 _cell_length_b 4.74185843 _cell_length_c 6.00837000 _cell_angle_alpha 94.19774407 _cell_angle_beta 96.61994000 _cell_angle_gamma 102.56759152 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 69.01891810 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.22896727 0.85132846 0.97422738 1.0 C C1 1 0.55331011 0.99888812 0.64486170 1.0 C C2 1 0.98472240 0.99420567 0.48832814 1.0 C C3 1 0.67470785 0.46218774 0.46408431 1.0 C C4 1 0.03685004 0.31819945 0.13914383 1.0 C C5 1 0.08700737 0.28451790 0.38725479 1.0 C C6 1 0.64244260 0.78858648 0.82212328 1.0 C C7 1 0.19932694 0.67076277 0.17549135 1.0 C C8 1 0.63440484 0.50746966 0.70700545 1.0 C C9 1 0.45101118 0.19065042 0.02203467 1.0 C C10 1 0.76825704 0.72196142 0.32412470 1.0 C C11 1 0.55174906 0.25970671 0.79255799 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.37763881, 0.97422738, 0.14867154 ], [ 0.55442199, 0.6448617, 0.001111880000000065 ], [ 0.99051673, 0.48832814, 0.00579433000000007 ], [ 0.21252011, 0.46408431, 0.53781226 ], [ 0.71865059, 0.13914383, 0.68180055 ], [ 0.80248947, 0.38725479, 0.7154821 ], [ 0.85385612, 0.82212328, 0.21141352 ], [ 0.52856417, 0.17549135, 0.32923723 ], [ 0.12693518000000004, 0.70700545, 0.49253034 ], [ 0.26036076, 0.022034670000000034, 0.80934958 ], [ 0.04629562, 0.3241247, 0.27803858 ], [ 0.29204235, 0.79255799, 0.74029329 ] ]
[ [ 2.3922600491149213, 0, -0.764869590851063 ], [ -0.47550788876726907, 5.93756520086866, 0.7872241040857506 ], [ 0, 0, 4.85905 ] ]
[ true, true, true ]
C-193948-359-27
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43244000 _cell_length_b 6.07973000 _cell_length_c 4.70225000 _cell_angle_alpha 70.55927000 _cell_angle_beta 69.55005000 _cell_angle_gamma 88.94450000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 86.16819835 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.32642479 0.56297215 0.47600098 1 C C1 1 0.68990356 0.92347710 0.07034119 1 C C2 1 0.40850984 0.80628661 0.93060433 1 C C3 1 1.13449461 1.00045043 0.82684338 1 C C4 1 0.71740638 0.73455025 0.36333770 1 C C5 1 0.91399301 0.32305538 0.02652409 1 C C6 1 0.70853459 0.71859627 0.69221927 1 C C7 1 0.11206217 0.61199165 0.24199690 1 C C8 1 0.48751833 0.33069474 0.53491379 1 C C9 1 0.93579464 0.34961015 0.32607709 1 C C10 1 0.28911825 0.20574896 0.89420600 1 C C11 1 0.52038469 0.14598867 0.12389844 1 C C12 1 0.95956244 0.55101090 0.76658966 1 C C13 1 0.23485709 0.17348133 0.45084068 1
-154.071718
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43244000 _cell_length_b 4.70225000 _cell_length_c 6.07973000 _cell_angle_alpha 109.44073000 _cell_angle_beta 88.94450000 _cell_angle_gamma 110.44995000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 86.16819835 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.32642479 0.52399902 0.56297215 1.0 C C1 1 0.68990356 0.92965881 0.92347710 1.0 C C2 1 0.40850984 0.06939567 0.80628661 1.0 C C3 1 0.13449461 0.17315662 0.00045043 1.0 C C4 1 0.71740638 0.63666230 0.73455025 1.0 C C5 1 0.91399301 0.97347591 0.32305538 1.0 C C6 1 0.70853459 0.30778073 0.71859627 1.0 C C7 1 0.11206217 0.75800310 0.61199165 1.0 C C8 1 0.48751833 0.46508621 0.33069474 1.0 C C9 1 0.93579464 0.67392291 0.34961015 1.0 C C10 1 0.28911825 0.10579400 0.20574896 1.0 C C11 1 0.52038469 0.87610156 0.14598867 1.0 C C12 1 0.95956244 0.23341034 0.55101090 1.0 C C13 1 0.23485709 0.54915932 0.17348133 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
14
[ [ 0.32642479, 0.56297215, 0.47600098 ], [ 0.68990356, 0.9234771, 0.07034119 ], [ 0.40850984, 0.80628661, 0.93060433 ], [ 0.13449460999999996, 0.00045042999999989064, 0.82684338 ], [ 0.71740638, 0.73455025, 0.3633377 ], [ 0.91399301, 0.32305538, 0.02652409 ], [ 0.70853459, 0.71859627, 0.69221927 ], [ 0.11206217, 0.61199165, 0.2419969 ], [ 0.48751833, 0.33069474, 0.53491379 ], [ 0.93579464, 0.34961015, 0.32607709 ], [ 0.28911825, 0.20574896, 0.894206 ], [ 0.52038469, 0.14598867, 0.12389844 ], [ 0.95956244, 0.5510109, 0.76658966 ], [ 0.23485709, 0.17348133, 0.45084068 ] ]
[ [ 3.2161199117951518, 0, 1.199256880970356 ], [ -0.6350243014884711, 5.697824451324531, 2.023526014487428 ], [ 0, 0, 4.70225 ] ]
[ true, true, true ]
C-28238-1215-25
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48269000 _cell_length_b 4.26726000 _cell_length_c 6.07004000 _cell_angle_alpha 117.72024000 _cell_angle_beta 89.99553000 _cell_angle_gamma 90.00475000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 56.92708707 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.75870341 0.04135491 0.69496741 1 C C1 1 0.25910319 0.45929583 0.08877289 1 C C2 1 0.25928952 0.20568560 0.42189601 1 C C3 1 0.75890894 0.74232404 0.76203928 1 C C4 1 0.25869848 0.27209980 0.80586817 1 C C5 1 0.75919472 0.99603391 0.42884135 1 C C6 1 0.75922649 0.92995742 0.04543559 1 C C7 1 0.25926699 0.16037193 0.15573260 1 C C8 1 0.25888653 0.51531843 0.68119861 1 C C9 1 0.75918322 0.68657083 0.17009307 1
-154.399179
11
11
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26726000 _cell_length_b 2.48269000 _cell_length_c 5.56395603 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.03938571 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 56.92708732 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.67087409 0.25000000 0.73038260 1.0 C C1 1 0.69500953 0.75000000 0.33657711 1.0 C C2 1 0.10827618 0.75000000 0.00345399 1.0 C C3 1 0.30499047 0.25000000 0.66342289 1.0 C C4 1 0.79071822 0.75000000 0.61948183 1.0 C C5 1 0.89172382 0.25000000 0.99654601 1.0 C C6 1 0.20928178 0.25000000 0.38051817 1.0 C C7 1 0.32912591 0.75000000 0.26961740 1.0 C C8 1 0.15860641 0.75000000 0.74415139 1.0 C C9 1 0.84139359 0.25000000 0.25584861 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.75870341, 0.04135491, 0.69496741 ], [ 0.25910319, 0.45929583, 0.08877289 ], [ 0.25928952, 0.2056856, 0.42189601 ], [ 0.75890894, 0.74232404, 0.76203928 ], [ 0.25869848, 0.2720998, 0.80586817 ], [ 0.75919472, 0.99603391, 0.42884135 ], [ 0.75922649, 0.92995742, 0.04543559 ], [ 0.25926699, 0.16037193, 0.1557326 ], [ 0.25888653, 0.51531843, 0.68119861 ], [ 0.75918322, 0.68657083, 0.17009307 ] ]
[ [ 2.482689992444516, 0, 0.00019369008298758837 ], [ -0.00019891202027245609, 3.7775038459104158, -1.9849364126253597 ], [ 0, 0, 6.07004 ] ]
[ true, true, true ]
C-13677-4233-52
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48519000 _cell_length_b 4.68090000 _cell_length_c 4.08537000 _cell_angle_alpha 83.35469000 _cell_angle_beta 90.00072000 _cell_angle_gamma 74.60754000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.48883225 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.05123001 -0.15247783 0.49899360 1 C C1 1 0.55195264 0.84546861 0.27303400 1 C C2 1 0.88206565 0.18805760 0.56755810 1 C C3 1 0.66760575 0.61721534 0.03095694 1 C C4 1 0.16906689 0.61479250 0.80548004 1 C C5 1 0.39517095 0.15910433 0.09241667 1 C C6 1 0.82322742 0.30373840 0.21201759 1 C C7 1 0.33957499 0.27397564 0.73675005 1
-154.368702
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02599545 _cell_length_b 2.48519000 _cell_length_c 4.08537000 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.89392095 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 90.97766455 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.05744639 0.00000000 0.65324322 1.0 C C1 1 0.05641961 0.50000000 0.87920282 1.0 C C2 1 0.72771411 0.50000000 0.58467872 1.0 C C3 1 0.94358039 0.50000000 0.12079718 1.0 C C4 1 0.94255361 0.00000000 0.34675678 1.0 C C5 1 0.71323747 0.00000000 0.05982015 1.0 C C6 1 0.78676253 0.50000000 0.94017985 1.0 C C7 1 0.77228589 0.00000000 0.41532128 1.0 C C8 1 0.55744639 0.50000000 0.65324322 1.0 C C9 1 0.55641961 0.00000000 0.87920282 1.0 C C10 1 0.22771411 0.00000000 0.58467872 1.0 C C11 1 0.44358039 0.00000000 0.12079718 1.0 C C12 1 0.44255361 0.50000000 0.34675678 1.0 C C13 1 0.21323747 0.50000000 0.05982015 1.0 C C14 1 0.28676253 0.00000000 0.94017985 1.0 C C15 1 0.27228589 0.50000000 0.41532128 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.05123001, 0.84752217, 0.4989936 ], [ 0.55195264, 0.84546861, 0.273034 ], [ 0.88206565, 0.1880576, 0.5675581 ], [ 0.66760575, 0.61721534, 0.03095694 ], [ 0.16906689, 0.6147925, 0.80548004 ], [ 0.39517095, 0.15910433, 0.09241667 ], [ 0.82322742, 0.3037384, 0.21201759 ], [ 0.33957499, 0.27397564, 0.73675005 ] ]
[ [ 2.485189999803777, 0, -0.000031229818585999605 ], [ 1.2424545475460962, 4.480369120496052, 0.5416863034888932 ], [ 0, 0, 4.08537 ] ]
[ true, true, true ]
C-126169-9026-34
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47862000 _cell_length_b 5.86863000 _cell_length_c 8.00059000 _cell_angle_alpha 51.70985000 _cell_angle_beta 72.07258000 _cell_angle_gamma 77.83358000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 86.87647084 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.20552503 1.06909749 0.63634057 1 C C1 1 0.29980117 0.47477654 0.84323332 1 C C2 1 0.61441828 0.72782250 0.40396959 1 C C3 1 0.43826586 0.21214600 0.83699938 1 C C4 1 0.38322000 0.89925940 1.04876121 1 C C5 1 1.04819110 0.26465237 0.69916177 1 C C6 1 0.78107648 0.86430921 0.16960936 1 C C7 1 0.55296478 0.69492914 0.97988654 1 C C8 1 0.04709243 0.60138745 0.53380456 1 C C9 1 0.72039927 0.90103320 0.70581465 1 C C10 1 1.09400343 0.51017088 0.03287597 1 C C11 1 -0.15145525 0.63905042 0.71261044 1 C C12 1 0.04790333 0.20539491 0.23428568 1 C C13 1 0.58977541 0.05459210 0.26803186 1
-154.091417
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.47363729 _cell_length_b 2.47862000 _cell_length_c 7.61215568 _cell_angle_alpha 90.00000000 _cell_angle_beta 126.61814935 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C28 _cell_volume 173.75341255 _cell_formula_units_Z 28 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.65813440 0.50000000 0.36365943 1.0 C C1 1 0.36097393 0.50000000 0.15676668 1.0 C C2 1 0.48749691 0.50000000 0.59603041 1.0 C C3 1 0.22965866 0.50000000 0.16300062 1.0 C C4 1 0.07321536 0.50000000 0.95123879 1.0 C C5 1 0.75591184 0.50000000 0.30083823 1.0 C C6 1 0.55574026 0.50000000 0.83039064 1.0 C C7 1 0.47105023 0.00000000 0.02011346 1.0 C C8 1 0.42427938 0.00000000 0.46619544 1.0 C C9 1 0.57410226 0.00000000 0.29418535 1.0 C C10 1 0.87867110 0.00000000 0.96712403 1.0 C C11 1 0.44311087 0.00000000 0.28738956 1.0 C C12 1 0.72628311 0.00000000 0.76571432 1.0 C C13 1 0.65088171 0.50000000 0.73196814 1.0 C C14 1 0.15813440 0.00000000 0.36365943 1.0 C C15 1 0.86097393 0.00000000 0.15676668 1.0 C C16 1 0.98749690 0.00000000 0.59603041 1.0 C C17 1 0.72965866 0.00000000 0.16300062 1.0 C C18 1 0.57321536 0.00000000 0.95123879 1.0 C C19 1 0.25591184 0.00000000 0.30083823 1.0 C C20 1 0.05574026 0.00000000 0.83039064 1.0 C C21 1 0.97105023 0.50000000 0.02011346 1.0 C C22 1 0.92427938 0.50000000 0.46619544 1.0 C C23 1 0.07410226 0.50000000 0.29418535 1.0 C C24 1 0.37867110 0.50000000 0.96712403 1.0 C C25 1 0.94311086 0.50000000 0.28738956 1.0 C C26 1 0.22628311 0.50000000 0.76571432 1.0 C C27 1 0.15088171 0.00000000 0.73196814 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
14
[ [ 0.20552503, 0.0690974900000001, 0.63634057 ], [ 0.29980117, 0.47477654, 0.84323332 ], [ 0.61441828, 0.7278225, 0.40396959 ], [ 0.43826586, 0.212146, 0.83699938 ], [ 0.38322, 0.8992594, 0.04876121000000011 ], [ 0.04819109999999993, 0.26465237, 0.69916177 ], [ 0.78107648, 0.86430921, 0.16960936 ], [ 0.55296478, 0.69492914, 0.97988654 ], [ 0.04709243, 0.60138745, 0.53380456 ], [ 0.72039927, 0.9010332, 0.70581465 ], [ 0.09400343000000011, 0.51017088, 0.03287597 ], [ 0.84854475, 0.63905042, 0.71261044 ], [ 0.04790333, 0.20539491, 0.23428568 ], [ 0.58977541, 0.0545921, 0.26803186 ] ]
[ [ 2.3582760674855057, 0, 0.7629489458181964 ], [ 0.1234733961552545, 4.604532171098094, 3.6364620007178066 ], [ 0, 0, 8.00059 ] ]
[ true, true, true ]
C-106837-6296-53
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48435000 _cell_length_b 3.82438000 _cell_length_c 5.98274000 _cell_angle_alpha 59.61632000 _cell_angle_beta 77.95826000 _cell_angle_gamma 71.02118000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 46.30216781 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.07442336 0.70950320 0.69811134 1 C C1 1 0.56301335 0.28464097 0.14294074 1 C C2 1 1.11136685 0.35556952 0.97774312 1 C C3 1 0.31320880 0.00977744 0.92001311 1 C C4 1 0.35058010 0.65599907 1.19948850 1 C C5 1 -0.13830577 1.08043829 0.75492173 1 C C6 1 0.68688507 0.59243210 0.59208742 1 C C7 1 0.73842124 0.77231431 0.30567594 1
-154.221431
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23296539 _cell_length_b 2.48435000 _cell_length_c 5.22244426 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.32019448 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 92.60438393 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.36201489 0.50000000 0.75068858 1.0 C C1 1 0.35203130 0.00000000 0.30585918 1.0 C C2 1 0.39916584 0.50000000 0.47105680 1.0 C C3 1 0.10083416 0.00000000 0.52894320 1.0 C C4 1 0.13798511 0.00000000 0.24931142 1.0 C C5 1 0.14796870 0.50000000 0.69414082 1.0 C C6 1 0.47356240 0.00000000 0.85671250 1.0 C C7 1 0.52643760 0.00000000 0.14328750 1.0 C C8 1 0.86201489 0.00000000 0.75068858 1.0 C C9 1 0.85203130 0.50000000 0.30585918 1.0 C C10 1 0.89916584 0.00000000 0.47105680 1.0 C C11 1 0.60083416 0.50000000 0.52894320 1.0 C C12 1 0.63798511 0.50000000 0.24931142 1.0 C C13 1 0.64796870 0.00000000 0.69414082 1.0 C C14 1 0.97356240 0.50000000 0.85671250 1.0 C C15 1 0.02643760 0.50000000 0.14328750 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.07442335999999994, 0.7095032, 0.69811134 ], [ 0.56301335, 0.28464097, 0.14294074 ], [ 0.11136685000000002, 0.35556952, 0.97774312 ], [ 0.3132088, 0.00977744, 0.92001311 ], [ 0.3505801, 0.65599907, 0.19948849999999996 ], [ 0.86169423, 0.08043829000000002, 0.75492173 ], [ 0.68688507, 0.5924321, 0.59208742 ], [ 0.73842124, 0.77231431, 0.30567594 ] ]
[ [ 2.4296840581015022, 0, 0.5182955723401613 ], [ 0.8591164579445395, 3.1853076960118076, 1.9343257682760615 ], [ 0, 0, 5.98274 ] ]
[ true, true, true ]
C-142775-4731-31
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45655000 _cell_length_b 3.66110000 _cell_length_c 6.48490000 _cell_angle_alpha 79.33027000 _cell_angle_beta 100.88898000 _cell_angle_gamma 70.39711000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 51.96997678 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.68084765 0.69994909 0.95070816 1 C C1 1 0.28231825 0.81914854 0.27359841 1 C C2 1 0.43345508 -0.05447019 0.70096721 1 C C3 1 0.83436137 0.81870128 0.37844711 1 C C4 1 0.26276547 0.34153783 0.75314634 1 C C5 1 0.85383820 0.30445436 0.89860312 1 C C6 1 0.14483197 0.85769510 0.03743489 1 C C7 1 -0.03239050 0.78820218 0.61386105 1
-154.280251
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89780918 _cell_length_b 2.45655000 _cell_length_c 6.37551890 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.82013523 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 103.93996791 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.99909407 0.00000000 0.37512952 1.0 C C1 1 0.27804923 0.00000000 0.05223927 1.0 C C2 1 0.00090593 0.00000000 0.62487048 1.0 C C3 1 0.22195077 0.50000000 0.94776073 1.0 C C4 1 0.27708062 0.50000000 0.57269134 1.0 C C5 1 0.22291938 0.00000000 0.42730866 1.0 C C6 1 0.87685770 0.50000000 0.28840279 1.0 C C7 1 0.12314230 0.50000000 0.71159721 1.0 C C8 1 0.49909407 0.50000000 0.37512952 1.0 C C9 1 0.77804923 0.50000000 0.05223927 1.0 C C10 1 0.50090593 0.50000000 0.62487048 1.0 C C11 1 0.72195077 0.00000000 0.94776073 1.0 C C12 1 0.77708062 0.00000000 0.57269134 1.0 C C13 1 0.72291938 0.50000000 0.42730866 1.0 C C14 1 0.37685770 0.00000000 0.28840279 1.0 C C15 1 0.62314230 0.00000000 0.71159721 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.68084765, 0.69994909, 0.95070816 ], [ 0.28231825, 0.81914854, 0.27359841 ], [ 0.43345508, 0.94552981, 0.70096721 ], [ 0.83436137, 0.81870128, 0.37844711 ], [ 0.26276547, 0.34153783, 0.75314634 ], [ 0.8538382, 0.30445436, 0.89860312 ], [ 0.14483197, 0.8576951, 0.03743489 ], [ 0.9676095, 0.78820218, 0.61386105 ] ]
[ [ 2.412319975105784, 0, -0.4640584448166301 ], [ 1.3812134365099225, 3.3221124308866212, 0.6778433811383248 ], [ 0, 0, 6.4849 ] ]
[ true, true, true ]
C-145397-8330-33
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44791000 _cell_length_b 3.37262000 _cell_length_c 8.01432000 _cell_angle_alpha 109.56736000 _cell_angle_beta 72.14375000 _cell_angle_gamma 111.39830000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 56.74919516 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.23177856 0.22562143 0.23948482 1 C C1 1 0.00134316 -0.19516777 0.75987057 1 C C2 1 0.32785114 0.69629586 0.37982999 1 C C3 1 0.54825357 0.71662870 0.66809943 1 C C4 1 0.90292630 -0.00773467 0.95137269 1 C C5 1 0.35919633 1.08426666 0.04251724 1 C C6 1 0.67875864 0.58145814 0.47127114 1 C C7 1 0.58247060 0.11235246 0.33189363 1
-154.189334
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28028158 _cell_length_b 2.44791000 _cell_length_c 7.62826668 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.57694638 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 113.49866840 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.83938320 0.00000000 0.11589316 1.0 C C1 1 0.04977780 0.50000000 0.59550741 1.0 C C2 1 0.10404599 0.50000000 0.97554799 1.0 C C3 1 0.09387957 0.00000000 0.68727855 1.0 C C4 1 0.95022220 0.50000000 0.40449259 1.0 C C5 1 0.40612043 0.50000000 0.31272145 1.0 C C6 1 0.16061680 0.00000000 0.88410684 1.0 C C7 1 0.89595401 0.50000000 0.02445201 1.0 C C8 1 0.33938320 0.50000000 0.11589316 1.0 C C9 1 0.54977780 0.00000000 0.59550741 1.0 C C10 1 0.60404599 0.00000000 0.97554799 1.0 C C11 1 0.59387957 0.50000000 0.68727855 1.0 C C12 1 0.45022220 0.00000000 0.40449259 1.0 C C13 1 0.90612043 0.00000000 0.31272145 1.0 C C14 1 0.66061680 0.50000000 0.88410684 1.0 C C15 1 0.39595401 0.00000000 0.02445201 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.23177856, 0.22562143, 0.23948482 ], [ 0.00134316, 0.80483223, 0.75987057 ], [ 0.32785114, 0.69629586, 0.37982999 ], [ 0.54825357, 0.7166287, 0.66809943 ], [ 0.9029263, 0.99226533, 0.95137269 ], [ 0.35919633, 0.08426665999999994, 0.04251724 ], [ 0.67875864, 0.58145814, 0.47127114 ], [ 0.5824706, 0.11235246, 0.33189363 ] ]
[ [ 2.329991282560178, 0, 0.7506024189233442 ], [ -0.9288925166870586, 3.039056198902647, -1.129540515764784 ], [ 0, 0, 8.01432 ] ]
[ true, true, true ]
C-90813-2847-52
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26916000 _cell_length_b 4.20409000 _cell_length_c 3.70171000 _cell_angle_alpha 111.61403000 _cell_angle_beta 76.26628000 _cell_angle_gamma 119.26905000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 53.74628062 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.72844077 0.31348615 0.26651638 1 C C1 1 0.14547536 0.08537057 0.81016687 1 C C2 1 0.80965388 0.38542779 0.66594875 1 C C3 1 0.48228681 0.45417373 0.89720857 1 C C4 1 0.14675978 0.75388859 0.75103740 1 C C5 1 0.48485017 0.72452806 0.71082598 1 C C6 1 0.80729225 0.11491823 0.85168364 1 C C7 1 0.56354419 0.52558348 0.29619101 1
-154.089936
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70171000 _cell_length_b 4.20409000 _cell_length_c 4.26916000 _cell_angle_alpha 60.73095000 _cell_angle_beta 76.26628000 _cell_angle_gamma 68.38597000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 53.74628062 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.98516269 0.60604866 0.58244829 1.0 C C1 1 0.52881318 0.83416424 0.99948288 1.0 C C2 1 0.38459506 0.53410702 0.66366140 1.0 C C3 1 0.61540494 0.46589298 0.33633860 1.0 C C4 1 0.47118682 0.16583576 0.00051712 1.0 C C5 1 0.42947229 0.19500675 0.33885769 1.0 C C6 1 0.57052771 0.80499325 0.66114231 1.0 C C7 1 0.01483731 0.39395134 0.41755171 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.72844077, 0.31348615, 0.26651638 ], [ 0.14547536, 0.08537057, 0.81016687 ], [ 0.80965388, 0.38542779, 0.66594875 ], [ 0.48228681, 0.45417373, 0.89720857 ], [ 0.14675978, 0.75388859, 0.7510374 ], [ 0.48485017, 0.72452806, 0.71082598 ], [ 0.80729225, 0.11491823, 0.85168364 ], [ 0.56354419, 0.52558348, 0.29619101 ] ]
[ [ 4.1471028652455155, 0, 1.013540788854812 ], [ -1.7374520476586057, 3.5010733959563045, -1.5485858666260341 ], [ 0, 0, 3.70171 ] ]
[ true, true, true ]
C-134166-3936-11
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45701000 _cell_length_b 3.66348000 _cell_length_c 6.45881000 _cell_angle_alpha 98.33442000 _cell_angle_beta 79.06539000 _cell_angle_gamma 70.44914000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 52.40789630 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.16310125 0.57507033 0.13596336 1 C C1 1 0.87665759 1.01039755 0.27250016 1 C C2 1 0.74910678 0.54908436 0.98952402 1 C C3 1 0.73521459 0.05292566 0.50956554 1 C C4 1 0.57142157 0.95120051 0.94052647 1 C C5 1 0.33902138 0.17394582 0.18565847 1 C C6 1 0.17535584 0.06821110 0.61587623 1 C C7 1 0.03463809 0.11339706 0.85316266 1
-154.28528
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90452459 _cell_length_b 2.45701000 _cell_length_c 6.50152172 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.13551526 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 104.81584762 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.78021691 0.50000000 0.57321967 1.0 C C1 1 0.13082170 0.00000000 0.70975647 1.0 C C2 1 0.21978309 0.50000000 0.42678033 1.0 C C3 1 0.22809033 0.00000000 0.94682185 1.0 C C4 1 0.99443337 0.50000000 0.37778278 1.0 C C5 1 0.00556663 0.50000000 0.62221722 1.0 C C6 1 0.27190967 0.50000000 0.05317815 1.0 C C7 1 0.36917830 0.50000000 0.29024353 1.0 C C8 1 0.28021691 0.00000000 0.57321967 1.0 C C9 1 0.63082170 0.50000000 0.70975647 1.0 C C10 1 0.71978309 0.00000000 0.42678033 1.0 C C11 1 0.72809033 0.50000000 0.94682185 1.0 C C12 1 0.49443337 0.00000000 0.37778278 1.0 C C13 1 0.50556663 0.00000000 0.62221722 1.0 C C14 1 0.77190967 0.00000000 0.05317815 1.0 C C15 1 0.86917830 0.00000000 0.29024353 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.16310124999999998, 0.57507033, 0.13596336 ], [ 0.87665759, 0.010397549999999978, 0.27250016 ], [ 0.74910678, 0.54908436, 0.98952402 ], [ 0.73521459, 0.05292566, 0.50956554 ], [ 0.57142157, 0.95120051, 0.94052647 ], [ 0.33902138, 0.17394582, 0.18565847 ], [ 0.17535584, 0.0682111, 0.61587623 ], [ 0.03463809, 0.11339706, 0.85316266 ] ]
[ [ 2.412401285289079, 0, 0.4660667107138196 ], [ 1.3512212029815778, 3.363525053366453, -0.5310237154677898 ], [ 0, 0, 6.45881 ] ]
[ true, true, true ]
C-47620-4862-38
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46424000 _cell_length_b 4.06159000 _cell_length_c 6.90848000 _cell_angle_alpha 100.38287000 _cell_angle_beta 80.00945000 _cell_angle_gamma 88.15170000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 66.83742975 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.47640177 0.76945525 0.13890498 1 C C1 1 0.53210384 0.64182620 0.34727258 1 C C2 1 0.93710572 0.00415131 0.13918481 1 C C3 1 0.15423265 0.31475742 0.66725314 1 C C4 1 0.62454249 0.50079154 0.75268968 1 C C5 1 0.04328020 0.22094694 0.98046284 1 C C6 1 0.16551937 0.02423672 0.76704134 1 C C7 1 0.68032772 0.25945120 0.34171967 1 C C8 1 0.53241866 0.45020513 0.97748656 1 C C9 1 0.96793350 0.80142647 0.46060591 1 C C10 1 0.12653703 0.17319599 0.45208600 1 C C11 1 -0.28264066 0.82856764 0.69516931 1
-154.166308
1
1
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46424000 _cell_length_b 4.06159000 _cell_length_c 6.90848000 _cell_angle_alpha 100.38287000 _cell_angle_beta 99.99055000 _cell_angle_gamma 91.84830000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 66.83742975 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.47640177 0.23054475 0.86109502 1.0 C C1 1 0.53210384 0.35817380 0.65272742 1.0 C C2 1 0.93710572 0.99584869 0.86081519 1.0 C C3 1 0.15423265 0.68524258 0.33274686 1.0 C C4 1 0.62454249 0.49920846 0.24731032 1.0 C C5 1 0.04328020 0.77905306 0.01953716 1.0 C C6 1 0.16551937 0.97576328 0.23295866 1.0 C C7 1 0.68032772 0.74054880 0.65828033 1.0 C C8 1 0.53241866 0.54979487 0.02251344 1.0 C C9 1 0.96793350 0.19857353 0.53939409 1.0 C C10 1 0.12653703 0.82680401 0.54791400 1.0 C C11 1 0.71735934 0.17143236 0.30483069 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.47640177, 0.76945525, 0.13890498 ], [ 0.53210384, 0.6418262, 0.34727258 ], [ 0.93710572, 0.00415131, 0.13918481 ], [ 0.15423265, 0.31475742, 0.66725314 ], [ 0.62454249, 0.50079154, 0.75268968 ], [ 0.0432802, 0.22094694, 0.98046284 ], [ 0.16551937, 0.02423672, 0.76704134 ], [ 0.68032772, 0.2594512, 0.34171967 ], [ 0.53241866, 0.45020513, 0.97748656 ], [ 0.9679335, 0.80142647, 0.46060591 ], [ 0.12653703, 0.17319599, 0.452086 ], [ 0.71735934, 0.82856764, 0.69516931 ] ]
[ [ 2.4268732011466385, 0, 0.4275105181820309 ], [ 0.26196373362291864, 3.9864851443069376, -0.7320003583239787 ], [ 0, 0, 6.90848 ] ]
[ true, true, true ]
C-9624-7158-41
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46575000 _cell_length_b 3.36457000 _cell_length_c 5.59466000 _cell_angle_alpha 87.57793000 _cell_angle_beta 102.74371000 _cell_angle_gamma 101.04721000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 44.43211929 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.53681064 0.42644328 0.75880562 1 C C1 1 0.77822174 0.42660808 0.23899757 1 C C2 1 0.61031539 0.65602148 -0.00125745 1 C C3 1 0.96240729 0.15786200 0.75879449 1 C C4 1 0.65928398 0.79348424 0.57890393 1 C C5 1 1.13042925 0.92775471 -0.00136626 1 C C6 1 0.20385343 1.15798439 0.23887849 1 C C7 1 0.07921768 0.79363663 0.41862141 1
-154.13854
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46575000 _cell_length_b 10.91368866 _cell_length_c 3.36457000 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.04721000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 88.86424092 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.78719611 0.88068107 0.63429064 1.0 C C1 1 0.28719611 0.61931893 0.63429064 1.0 C C2 1 0.74073239 0.00000000 0.86386884 1.0 C C3 1 0.21280389 0.88068107 0.36570936 1.0 C C4 1 0.00000000 0.79073023 0.00000000 1.0 C C5 1 0.25926761 0.00000000 0.13613116 1.0 C C6 1 0.71280389 0.61931893 0.36570936 1.0 C C7 1 0.50000000 0.70926977 0.00000000 1.0 C C8 1 0.28719611 0.38068107 0.63429064 1.0 C C9 1 0.78719611 0.11931893 0.63429064 1.0 C C10 1 0.24073239 0.50000000 0.86386884 1.0 C C11 1 0.71280389 0.38068107 0.36570936 1.0 C C12 1 0.50000000 0.29073023 0.00000000 1.0 C C13 1 0.75926761 0.50000000 0.13613116 1.0 C C14 1 0.21280389 0.11931893 0.36570936 1.0 C C15 1 0.00000000 0.20926977 0.00000000 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.53681064, 0.42644328, 0.75880562 ], [ 0.77822174, 0.42660808, 0.23899757 ], [ 0.61031539, 0.65602148, 0.99874255 ], [ 0.96240729, 0.157862, 0.75879449 ], [ 0.65928398, 0.79348424, 0.57890393 ], [ 0.13042924999999994, 0.92775471, 0.99863374 ], [ 0.20385343, 0.15798438999999997, 0.23887849 ], [ 0.07921768, 0.79363663, 0.41862141 ] ]
[ [ 2.405010053556465, 0, -0.5439206787688166 ], [ -0.6288363892515005, 3.3022232707339185, 0.14218843369457387 ], [ 0, 0, 5.59466 ] ]
[ true, true, true ]
C-106083-2333-69
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44698000 _cell_length_b 7.52269000 _cell_length_c 9.42424000 _cell_angle_alpha 100.33360000 _cell_angle_beta 105.05613000 _cell_angle_gamma 99.41347000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 160.72466037 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.96344611 0.87558494 0.13588154 1 C C1 1 1.19178511 0.17162673 0.71637572 1 C C2 1 0.36854400 0.18411124 -0.11397203 1 C C3 1 0.16759183 0.64583942 0.95347520 1 C C4 1 0.82336613 0.51226249 0.67481322 1 C C5 1 0.21384148 0.83445549 0.90634899 1 C C6 1 0.49781240 0.67793513 0.26785030 1 C C7 1 0.72739247 0.38482706 0.15001964 1 C C8 1 0.25686488 0.52001687 0.60316921 1 C C9 1 -0.12815072 0.58925304 0.18683665 1 C C10 1 0.05689252 0.84694654 0.74468956 1 C C11 1 0.16261762 0.59163511 0.47335935 1 C C12 1 -0.06994507 0.14184846 -0.03142363 1 C C13 1 0.62378942 0.63217112 0.41444363 1 C C14 1 -0.15411570 0.93838643 -0.01447649 1 C C15 1 0.14301239 0.29645041 0.10956462 1 C C16 1 0.39277394 0.35415623 0.82570824 1 C C17 1 0.78585502 1.01389739 0.38971229 1 C C18 1 0.37952330 0.04757900 0.46678535 1 C C19 1 0.77584670 0.66730495 0.05066081 1 C C20 1 0.56680970 1.08190206 0.63732053 1 C C21 1 0.56777606 0.88695445 0.23523052 1 C C22 1 0.95019219 0.46790308 0.82530652 1 C C23 1 0.52955150 0.90047976 0.69091676 1
-154.16045
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.84278138 _cell_length_b 2.44698000 _cell_length_c 9.10072297 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.46720380 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C48 _cell_volume 321.44947938 _cell_formula_units_Z 48 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.82756457 0.00000000 0.13588154 1.0 C C1 1 0.47558546 0.00000000 0.71637572 1.0 C C2 1 0.48182772 0.00000000 0.88602797 1.0 C C3 1 0.71269181 0.50000000 0.95347520 1.0 C C4 1 0.64590335 0.50000000 0.67481322 1.0 C C5 1 0.80699984 0.50000000 0.90634899 1.0 C C6 1 0.72873966 0.50000000 0.26785030 1.0 C C7 1 0.58218563 0.00000000 0.15001964 1.0 C C8 1 0.64978053 0.00000000 0.60316921 1.0 C C9 1 0.68439862 0.00000000 0.18683665 1.0 C C10 1 0.81324537 0.50000000 0.74468956 1.0 C C11 1 0.68558966 0.00000000 0.47335935 1.0 C C12 1 0.46069633 0.50000000 0.96857637 1.0 C C13 1 0.70585766 0.50000000 0.41444363 1.0 C C14 1 0.85896532 0.00000000 0.98552351 1.0 C C15 1 0.53799730 0.50000000 0.10956462 1.0 C C16 1 0.56685022 0.00000000 0.82570824 1.0 C C17 1 0.39672079 0.00000000 0.38971229 1.0 C C18 1 0.41356160 0.50000000 0.46678535 1.0 C C19 1 0.72342458 0.00000000 0.05066081 1.0 C C20 1 0.43072313 0.50000000 0.63732053 1.0 C C21 1 0.83324933 0.50000000 0.23523052 1.0 C C22 1 0.62372364 0.50000000 0.82530652 1.0 C C23 1 0.84001198 0.00000000 0.69091676 1.0 C C24 1 0.32756457 0.50000000 0.13588154 1.0 C C25 1 0.97558546 0.50000000 0.71637572 1.0 C C26 1 0.98182772 0.50000000 0.88602797 1.0 C C27 1 0.21269181 0.00000000 0.95347520 1.0 C C28 1 0.14590335 0.00000000 0.67481322 1.0 C C29 1 0.30699984 0.00000000 0.90634899 1.0 C C30 1 0.22873966 0.00000000 0.26785030 1.0 C C31 1 0.08218563 0.50000000 0.15001964 1.0 C C32 1 0.14978053 0.50000000 0.60316921 1.0 C C33 1 0.18439862 0.50000000 0.18683665 1.0 C C34 1 0.31324537 0.00000000 0.74468956 1.0 C C35 1 0.18558966 0.50000000 0.47335935 1.0 C C36 1 0.96069633 0.00000000 0.96857637 1.0 C C37 1 0.20585766 0.00000000 0.41444363 1.0 C C38 1 0.35896532 0.50000000 0.98552351 1.0 C C39 1 0.03799730 0.00000000 0.10956462 1.0 C C40 1 0.06685022 0.50000000 0.82570824 1.0 C C41 1 0.89672079 0.50000000 0.38971229 1.0 C C42 1 0.91356160 0.00000000 0.46678535 1.0 C C43 1 0.22342458 0.50000000 0.05066081 1.0 C C44 1 0.93072313 0.00000000 0.63732053 1.0 C C45 1 0.33324933 0.00000000 0.23523052 1.0 C C46 1 0.12372364 0.00000000 0.82530652 1.0 C C47 1 0.34001198 0.50000000 0.69091676 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
24
[ [ 0.96344611, 0.87558494, 0.13588154 ], [ 0.1917851100000001, 0.17162673, 0.71637572 ], [ 0.368544, 0.18411124, 0.88602797 ], [ 0.16759183, 0.64583942, 0.9534752 ], [ 0.82336613, 0.51226249, 0.67481322 ], [ 0.21384148, 0.83445549, 0.90634899 ], [ 0.4978124, 0.67793513, 0.2678503 ], [ 0.72739247, 0.38482706, 0.15001964 ], [ 0.25686488, 0.52001687, 0.60316921 ], [ 0.87184928, 0.58925304, 0.18683665 ], [ 0.05689252, 0.84694654, 0.74468956 ], [ 0.16261762, 0.59163511, 0.47335935 ], [ 0.9300549300000001, 0.14184846, 0.96857637 ], [ 0.62378942, 0.63217112, 0.41444363 ], [ 0.8458843, 0.93838643, 0.98552351 ], [ 0.14301239, 0.29645041, 0.10956462 ], [ 0.39277394, 0.35415623, 0.82570824 ], [ 0.78585502, 0.013897389999999898, 0.38971229 ], [ 0.3795233, 0.047579, 0.46678535 ], [ 0.7758467, 0.66730495, 0.05066081 ], [ 0.5668097, 0.08190206, 0.63732053 ], [ 0.56777606, 0.88695445, 0.23523052 ], [ 0.95019219, 0.46790308, 0.82530652 ], [ 0.5295515, 0.90047976, 0.69091676 ] ]
[ [ 2.3629796053553287, 0, -0.6356402324230068 ], [ -1.6371256642884764, 7.2173240651736545, -1.3494138481923328 ], [ 0, 0, 9.42424 ] ]
[ true, true, true ]
C-13669-3058-8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34288000 _cell_length_b 3.23625000 _cell_length_c 5.76055000 _cell_angle_alpha 92.77291000 _cell_angle_beta 128.80592000 _cell_angle_gamma 105.54459000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 58.20629896 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.01094599 0.58293420 0.74506247 1 C C1 1 0.01318934 0.58106794 0.29460620 1 C C2 1 0.14196685 0.71151622 0.58467381 1 C C3 1 0.64542650 0.21509413 0.06226090 1 C C4 1 0.51685194 0.08476335 0.77216429 1 C C5 1 0.32998489 0.89697732 0.29938788 1 C C6 1 0.64798877 0.21285134 0.61172739 1 C C7 1 0.32911810 0.89862851 1.05752517 1
-154.198749
2
2
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23625000 _cell_length_b 4.34288000 _cell_length_c 4.54846635 _cell_angle_alpha 80.72828463 _cell_angle_beta 71.50966583 _cell_angle_gamma 74.45541000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 58.20629896 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.31495857 0.11481107 0.56666754 1.0 C C1 1 0.31682483 0.56751069 0.11621127 1.0 C C2 1 0.18637655 0.40622059 0.40627888 1.0 C C3 1 0.68317517 0.43248931 0.88378873 1.0 C C4 1 0.81362345 0.59377941 0.59372112 1.0 C C5 1 0.00091545 0.87952456 0.12099295 1.0 C C6 1 0.68504143 0.88518893 0.43333246 1.0 C C7 1 0.99908455 0.12047544 0.87900705 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6 ]
8
[ [ 0.010945989999999961, 0.5829342, 0.74506247 ], [ 0.01318934, 0.58106794, 0.2946062 ], [ 0.14196685, 0.71151622, 0.58467381 ], [ 0.6454265, 0.21509413, 0.0622609 ], [ 0.51685194, 0.08476335, 0.77216429 ], [ 0.32998489, 0.89697732, 0.29938788 ], [ 0.64798877, 0.21285134, 0.61172739 ], [ 0.3291181, 0.89862851, 0.0575251699999999 ] ]
[ [ 3.384290072457441, 0, -2.7216148514927694 ], [ -1.238835995505308, 2.985646974835141, -0.1565617462796824 ], [ 0, 0, 5.76055 ] ]
[ true, true, true ]
C-13659-6798-35
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45350000 _cell_length_b 5.56449000 _cell_length_c 7.84000000 _cell_angle_alpha 102.56255000 _cell_angle_beta 98.34952000 _cell_angle_gamma 115.21837000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 91.02138414 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.02190869 0.02501192 0.09771714 1 C C1 1 0.44803679 0.84932887 0.31814212 1 C C2 1 0.10679515 0.25377423 0.81739001 1 C C3 1 0.91305947 0.70332123 0.56028111 1 C C4 1 1.02288001 0.43006593 0.30671742 1 C C5 1 0.23994945 0.44429191 0.72324045 1 C C6 1 0.80904073 0.54150719 0.67188475 1 C C7 1 0.37697265 0.31133446 0.24468024 1 C C8 1 0.37363083 0.71000496 0.46059528 1 C C9 1 -0.03808366 -0.10345583 0.24524923 1 C C10 1 0.54451134 1.16124830 0.87241373 1 C C11 1 0.46722587 1.01848064 -0.00476787 1
-154.09782
8
8
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.51480722 _cell_length_b 2.45350000 _cell_length_c 5.03481949 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.17177404 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 182.09476608 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.10082037 0.00000000 0.02501192 1.0 C C1 1 0.21103286 0.50000000 0.84932887 1.0 C C2 1 0.46065680 0.50000000 0.25377423 1.0 C C3 1 0.33210235 0.00000000 0.70332123 1.0 C C4 1 0.20532051 0.50000000 0.43006593 1.0 C C5 1 0.41358202 0.50000000 0.44429191 1.0 C C6 1 0.38790417 0.00000000 0.54150719 1.0 C C7 1 0.17430192 0.00000000 0.31133446 1.0 C C8 1 0.28225944 0.50000000 0.71000496 1.0 C C9 1 0.17458642 0.00000000 0.89654417 1.0 C C10 1 0.48816866 0.00000000 0.16124830 1.0 C C11 1 0.54957786 0.00000000 0.01848064 1.0 C C12 1 0.60082037 0.50000000 0.02501192 1.0 C C13 1 0.71103286 0.00000000 0.84932887 1.0 C C14 1 0.96065680 0.00000000 0.25377423 1.0 C C15 1 0.83210235 0.50000000 0.70332123 1.0 C C16 1 0.70532051 0.00000000 0.43006593 1.0 C C17 1 0.91358202 0.00000000 0.44429191 1.0 C C18 1 0.88790418 0.50000000 0.54150719 1.0 C C19 1 0.67430192 0.50000000 0.31133446 1.0 C C20 1 0.78225944 0.00000000 0.71000496 1.0 C C21 1 0.67458642 0.50000000 0.89654417 1.0 C C22 1 0.98816866 0.50000000 0.16124830 1.0 C C23 1 0.04957786 0.50000000 0.01848064 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.02190869, 0.02501192, 0.09771714 ], [ 0.44803679, 0.84932887, 0.31814212 ], [ 0.10679515, 0.25377423, 0.81739001 ], [ 0.91305947, 0.70332123, 0.56028111 ], [ 0.02288000999999995, 0.43006593, 0.30671742 ], [ 0.23994945, 0.44429191, 0.72324045 ], [ 0.80904073, 0.54150719, 0.67188475 ], [ 0.37697265, 0.31133446, 0.24468024 ], [ 0.37363083, 0.71000496, 0.46059528 ], [ 0.96191634, 0.89654417, 0.24524923 ], [ 0.54451134, 0.1612483, 0.87241373 ], [ 0.46722587, 0.018480639999999937, 0.99523213 ] ]
[ [ 2.4274945053399626, 0, -0.3562761240165996 ], [ -2.573890542971234, 4.782655697060406, -1.2103061250274203 ], [ 0, 0, 7.84 ] ]
[ true, true, true ]
C-47620-4862-11
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48731000 _cell_length_b 3.87758000 _cell_length_c 7.87328000 _cell_angle_alpha 64.53312000 _cell_angle_beta 99.09142000 _cell_angle_gamma 89.99849000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 67.49909759 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.32161242 0.76874224 0.02120579 1 C C1 1 0.79238921 -0.00683982 0.96226172 1 C C2 1 1.01953169 0.82953582 0.40409402 1 C C3 1 -0.16936899 0.27082699 0.03796812 1 C C4 1 0.93608540 0.23083267 0.23987816 1 C C5 1 0.51877679 0.58803779 0.40275730 1 C C6 1 0.68902500 0.28885904 0.74698977 1 C C7 1 1.18753750 0.53015497 0.74396028 1 C C8 1 0.28458651 0.49068037 0.94559103 1 C C9 1 0.43445137 0.47223037 0.23681152 1 C C10 1 0.60799475 1.17201018 0.58174574 1 C C11 1 0.10727806 0.93064369 0.58043364 1
-154.325443
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.03163689 _cell_length_b 2.48731000 _cell_length_c 3.87758000 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.02228790 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C24 _cell_volume 134.99819555 _cell_formula_units_Z 24 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.23513957 0.50000000 0.58273693 1.0 C C1 1 0.76486043 0.50000000 0.41726307 1.0 C C2 1 0.04369546 0.00000000 0.13905512 1.0 C C3 1 0.22675840 0.00000000 0.06388985 1.0 C C4 1 0.12580338 0.00000000 0.90197413 1.0 C C5 1 0.04436382 0.50000000 0.38188988 1.0 C C6 1 0.87224758 0.50000000 0.33683615 1.0 C C7 1 0.87419662 0.00000000 0.09802587 1.0 C C8 1 0.77324160 0.00000000 0.93611015 1.0 C C9 1 0.12775242 0.50000000 0.66316385 1.0 C C10 1 0.95563618 0.50000000 0.61811012 1.0 C C11 1 0.95630454 0.00000000 0.86094488 1.0 C C12 1 0.73513957 0.00000000 0.58273693 1.0 C C13 1 0.26486043 0.00000000 0.41726307 1.0 C C14 1 0.54369545 0.50000000 0.13905512 1.0 C C15 1 0.72675840 0.50000000 0.06388985 1.0 C C16 1 0.62580338 0.50000000 0.90197413 1.0 C C17 1 0.54436382 0.00000000 0.38188988 1.0 C C18 1 0.37224758 0.00000000 0.33683615 1.0 C C19 1 0.37419662 0.50000000 0.09802587 1.0 C C20 1 0.27324160 0.50000000 0.93611015 1.0 C C21 1 0.62775242 0.00000000 0.66316385 1.0 C C22 1 0.45563618 0.00000000 0.61811012 1.0 C C23 1 0.45630454 0.50000000 0.86094488 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
12
[ [ 0.32161242, 0.76874224, 0.02120579 ], [ 0.79238921, 0.99316018, 0.96226172 ], [ 0.01953168999999999, 0.82953582, 0.40409402 ], [ 0.8306310100000001, 0.27082699, 0.03796812 ], [ 0.9360854, 0.23083267, 0.23987816 ], [ 0.51877679, 0.58803779, 0.4027573 ], [ 0.689025, 0.28885904, 0.74698977 ], [ 0.1875374999999999, 0.53015497, 0.74396028 ], [ 0.28458651, 0.49068037, 0.94559103 ], [ 0.43445137, 0.47223037, 0.23681152 ], [ 0.60799475, 0.17201018, 0.58174574 ], [ 0.10727806, 0.93064369, 0.58043364 ] ]
[ [ 2.4560631177108334, 0, -0.3930203530614422 ], [ 0.26690846204025703, 3.4906213973832494, 1.667317842950623 ], [ 0, 0, 7.87328 ] ]
[ true, true, true ]
C-40116-9251-38
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27933000 _cell_length_b 3.27836000 _cell_length_c 5.57298000 _cell_angle_alpha 90.18373000 _cell_angle_beta 90.18325000 _cell_angle_gamma 81.09552000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 59.19150399 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.16991315 0.61192289 0.71347773 1 C C1 1 0.80971873 0.97308724 0.71345648 1 C C2 1 0.32062786 0.43866939 0.94701366 1 C C3 1 0.53663530 0.70290841 0.57061877 1 C C4 1 0.63720371 0.12217389 0.94703445 1 C C5 1 0.14504050 0.58714307 0.18083962 1 C C6 1 0.89902688 0.34080911 0.57054206 1 C C7 1 0.78337565 0.94828528 0.18100562 1 C C8 1 1.05424549 0.21993568 0.32358988 1 C C9 1 0.41566253 0.85792324 0.32364914 1
-154.26424
12
12
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98295483 _cell_length_b 4.26303415 _cell_length_c 5.57298000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.24147757 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 118.38301328 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.48761009 0.68057111 0.23368094 1.0 C C1 1 0.98761009 0.81942889 0.23368094 1.0 C C2 1 0.50000000 0.84255521 0.00000000 1.0 C C3 1 0.25875625 0.81843942 0.37653990 1.0 C C4 1 0.50000000 0.15744479 0.00000000 1.0 C C5 1 0.51238991 0.68057111 0.76631906 1.0 C C6 1 0.25875625 0.18156058 0.37653990 1.0 C C7 1 0.01238991 0.81942889 0.76631906 1.0 C C8 1 0.74124375 0.81843942 0.62346010 1.0 C C9 1 0.24124375 0.68156058 0.62346010 1.0 C C10 1 0.98761009 0.18057111 0.23368094 1.0 C C11 1 0.48761009 0.31942889 0.23368094 1.0 C C12 1 0.00000000 0.34255521 0.00000000 1.0 C C13 1 0.75875625 0.31843942 0.37653990 1.0 C C14 1 0.00000000 0.65744479 0.00000000 1.0 C C15 1 0.01238991 0.18057111 0.76631906 1.0 C C16 1 0.75875625 0.68156058 0.37653990 1.0 C C17 1 0.51238991 0.31942889 0.76631906 1.0 C C18 1 0.24124375 0.31843942 0.62346010 1.0 C C19 1 0.74124375 0.18156058 0.62346010 1.0
[ 6, 6, 6, 6, 6, 6, 6, 6, 6, 6 ]
10
[ [ 0.16991315, 0.61192289, 0.71347773 ], [ 0.80971873, 0.97308724, 0.71345648 ], [ 0.32062786, 0.43866939, 0.94701366 ], [ 0.5366353, 0.70290841, 0.57061877 ], [ 0.63720371, 0.12217389, 0.94703445 ], [ 0.1450405, 0.58714307, 0.18083962 ], [ 0.89902688, 0.34080911, 0.57054206 ], [ 0.78337565, 0.94828528, 0.18100562 ], [ 0.05424549000000001, 0.21993568, 0.32358988 ], [ 0.41566253, 0.85792324, 0.32364914 ] ]
[ [ 3.2793132275132293, 0, -0.010488315249171817 ], [ 0.5074185640109786, 3.238836237618292, -0.010512677471754394 ], [ 0, 0, 5.57298 ] ]
[ true, true, true ]
C-72703-290-31
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47495000 _cell_length_b 4.24805000 _cell_length_c 3.72191000 _cell_angle_alpha 115.99045000 _cell_angle_beta 90.01192000 _cell_angle_gamma 89.99808000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.17364626 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.51444406 0.92859738 0.05729724 1 C C1 1 0.51503360 0.92845744 0.64872764 1 C C2 1 0.01456754 0.42768219 0.60235574 1 C C3 1 0.51455947 0.20632320 0.49171646 1 C C4 1 0.01491915 0.70561755 0.44584915 1 C C5 1 1.01444157 0.70557604 0.03720247 1
-154.285334
63
63
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72191000 _cell_length_b 7.63686488 _cell_length_c 2.47495000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 70.34729515 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.20430258 0.80576587 0.75000000 1.0 C C1 1 0.79569742 0.80576587 0.75000000 1.0 C C2 1 0.00000000 0.55530828 0.25000000 1.0 C C3 1 0.00000000 0.44469172 0.75000000 1.0 C C4 1 0.70430258 0.69423413 0.25000000 1.0 C C5 1 0.29569742 0.69423413 0.25000000 1.0 C C6 1 0.70430258 0.30576587 0.75000000 1.0 C C7 1 0.29569742 0.30576587 0.75000000 1.0 C C8 1 0.50000000 0.05530828 0.25000000 1.0 C C9 1 0.50000000 0.94469172 0.75000000 1.0 C C10 1 0.20430258 0.19423413 0.25000000 1.0 C C11 1 0.79569742 0.19423413 0.25000000 1.0
[ 6, 6, 6, 6, 6, 6 ]
6
[ [ 0.51444406, 0.92859738, 0.05729724 ], [ 0.5150336, 0.92845744, 0.64872764 ], [ 0.01456754, 0.42768219, 0.60235574 ], [ 0.51455947, 0.2063232, 0.49171646 ], [ 0.01491915, 0.70561755, 0.44584915 ], [ 0.014441570000000015, 0.70557604, 0.03720247 ] ]
[ [ 2.4749499464396165, 0, -0.0005148966300469541 ], [ -0.00024493690214119125, 3.818432380773938, -1.8615861237028468 ], [ 0, 0, 3.72191 ] ]
[ true, true, true ]