Li4P2S7 (best of 5 space groups, final: Cm #8, optimized: 500 steps, cell relaxed, symmetry refined)
Created by route
Generate a crystal structure using GGen
Li4P2S7 phase diagram
Phase diagram of Li4P2S7 with Orb v3 conservative inf MPA; eabovehull: 0.127084 eV/atom; predicted_stable: False
Li-P-S electrolyte compounds under GGen + Orb v3: symmetry breaking and hull distances on Deringer's benchmark compositions
Testing four Li-P-S solid electrolyte compounds (Li3PS4, Li6PS5Cl, Li7P3S11, Li4P2S7) from Fragapane & Deringer's LiPS-25 benchmark paper through GGen structure generation + Orb v3 relaxation and convex hull analysis.
/materials/structure/relax
/materials/thermo/ehull
/magnetism/curie-temperature