Phase diagram of LiTiFeF6 with Orb v3 conservative inf MPA; e_above_hull: 0.208052 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -158.7422 eV; energy change = -0.0129 eV; symmetry: P321 → P321