Phase diagram of MgAl2(NiO3)2 with Orb v3 conservative inf MPA; e_above_hull: 0.304883 eV/atom; predicted_stable: False
template-MgAl2(NiO3)2 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -67.8119 eV; energy change = -0.0574 eV; symmetry: R-3 → R-3
Created by route
Calculate energy above the convex hull