Phase diagram of Zr3Fe8Mo with Orb v3 conservative inf MPA; e_above_hull: 0.033174 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -106.2737 eV; energy change = -0.0049 eV; symmetry: R3m → R3m