Phase diagram of Ba(FeO2)4 with Orb v3 conservative inf MPA; e_above_hull: 0.083468 eV/atom; predicted_stable: False
template-Ba(FeO2)4 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -83.1998 eV; energy change = -0.0356 eV; symmetry: I4/m → I4/m
Created by route
Calculate energy above the convex hull