Phase diagram of Ba4Fe2S4I5 with Orb v3 conservative inf MPA; e_above_hull: 0.011334 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -70.5627 eV; energy change = -0.0763 eV; symmetry: I4/m → I4/m