Phase diagram of Mg3Cr8FeS16 with Orb v3 conservative inf MPA; e_above_hull: 0.026565 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -179.2592 eV; energy change = -53.1884 eV; symmetry: R3m → R3m