Phase diagram of CsCrI3 with Orb v3 conservative inf MPA; e_above_hull: 0.049560 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-CsCrI3 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -38.2551 eV; energy change = 0.0000 eV; symmetry: P63/mmc → P63/mmc