Phase diagram of FeAsO4 with Orb v3 conservative inf MPA; e_above_hull: 0.005091 eV/atom; predicted_stable: True
Created by route
Calculate energy above the convex hull
template-FeAsO4 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -113.7960 eV; energy change = -10.1544 eV; symmetry: P3121 → P3121