Phase diagram of FeBiS3 with Orb v3 conservative inf MPA; e_above_hull: 0.234351 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -51.3914 eV; energy change = -20.1027 eV; symmetry: R3 → R3