Mechanistic studies have focused on the anharmonicities of specific phonon modes in ion conductors and their coupling to ion migration. This coupling is often examined by evaluating the extent to which phonon mode eigenvectors align with ion migration directions. For example, previous computational studies have concluded that softer, more anharmonic phonon modes correlate more strongly with diffusive motion of mobile ions in Cu 7 PSe 6 and Na 3 PS 4 . These findings have prompted efforts to artificially freeze or excite specific vibrational modes in molecular dynamics simulations to more directly assess their effects on ion transport. Each of these studies involved expensive ab initio molecular dynamics simulations and therefore examined only one or a few materials.