The study argued that the facile anion reorientations and other low-frequency thermal vibrations lead to fluctuations in the local potential that enhance cation mobility by creating a local driving force for hopping. Sau et al. also shed light on Li 2 B 12 H 12 using force-field-based MD simulations. They developed a force-field that accurately described the structural and dynamical properties of Li 2 B 12 H 12 and captured the O and D phases and their atomistic insights (cationic site occupancy, energy barrier of migration, and hopping mechanism).