Phase diagram of Cs3FeBr5 with Orb v3 conservative inf MPA; e_above_hull: 0.000413 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -63.3327 eV; energy change = -0.0888 eV; symmetry: I4/mcm → I4/mcm