Phase diagram of Cr2S3 with Orb v3 conservative inf MPA; e_above_hull: 0.000330 eV/atom; predicted_stable: True
Created by route
Calculate energy above the convex hull
template-Cr2S3 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -140.3244 eV; energy change = -0.0020 eV; symmetry: P-31c → P-31c