Phase diagram of ZnNi4O5 with Orb v3 conservative inf MPA; e_above_hull: 0.377333 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-ZnNi4O5 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -48.1340 eV; energy change = -0.0053 eV; symmetry: R-3m → R-3m