Phase diagram of MgFe2(NiO3)2 with Orb v3 conservative inf MPA; e_above_hull: 0.271276 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -64.1385 eV; energy change = -0.0029 eV; symmetry: R3 → R3