Phase diagram of Tl3FeCl5 with Orb v3 conservative inf MPA; e_above_hull: 0.003213 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -65.9699 eV; energy change = -0.0942 eV; symmetry: I4/mcm → I4/mcm