Phase diagram of Tl(FeS)2 with Orb v3 conservative inf MPA; e_above_hull: 0.011549 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -29.5321 eV; energy change = -0.5052 eV; symmetry: I4/mmm → I4/mmm