Crystal Structures and Phase Stability of the Li${}_2$S-P${}_2$S${}_5$ System from First Principles

Ronald L. Kam, KyuJung Jun, Luis Barroso-Luque +3

The Li${}_2$S-P${}_2$S${}_5$ pseudo-binary system has been a valuable source of promising superionic conductors, with $\alpha$-Li${}_3$PS${}_4$, $\beta$-Li${}_3$PS${}_4$, HT-Li${}_7$PS${}_6$, and Li${}_7$P${}_3$…