Lithium Ion Battery, Monte Carlo Simulation, Density Functional Theory, Lithium Titanate.
16c sites (and since 8a sites are tetrahedra that have four faces, this means that 8a sites don’t share faces with any other types of sites in LTO apart from 16c), but each 16c site shares a face with only two 8a sites. 16c sites don’t share faces among themselves. Every distance between the 8a and