Phase diagram of Mg(NiO2)4 with Orb v3 conservative inf MPA; e_above_hull: 0.479216 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -63.3230 eV; energy change = -0.5009 eV; symmetry: I-4m2 → I-4m2