Phase diagram of Mg2Ta2Ni2O9 with Orb v3 conservative inf MPA; e_above_hull: 0.125915 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -224.9467 eV; energy change = -0.9875 eV; symmetry: P-3c1 → P-3c1