Phase diagram of MnZn3(CrS2)8 with Orb v3 conservative inf MPA; e_above_hull: 0.001175 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -176.6862 eV; energy change = -0.0755 eV; symmetry: R3m → R3m