Phase diagram of MgMnS2 with Orb v3 conservative inf MPA; e_above_hull: 0.104939 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -22.4192 eV; energy change = -0.0006 eV; symmetry: R3m → R3m