Phase diagram of Fe2NiB with Orb v3 conservative inf MPA; e_above_hull: 0.043242 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -120.8920 eV; energy change = -0.0134 eV; symmetry: I-4 → I-4