Phase diagram of CsVI3 with Orb v3 conservative inf MPA; e_above_hull: 0.000000 eV/atom; predicted_stable: True
Created by route
Calculate energy above the convex hull
template-CsVI3 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -38.2055 eV; energy change = -0.0127 eV; symmetry: P63/mmc → P63/mmc