Phase diagram of MgTi2(NiO3)2 with Orb v3 conservative inf MPA; e_above_hull: 0.658867 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -75.3170 eV; energy change = -0.0147 eV; symmetry: R-3 → R-3