Phase diagram of CrFeO3 with Orb v3 conservative inf MPA; e_above_hull: 0.014133 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -73.0294 eV; energy change = -0.1228 eV; symmetry: R-3 → R-3