Phase diagram of LiFe6Si5 with Orb v3 conservative inf MPA; e_above_hull: 0.065562 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -168.3990 eV; energy change = -1.3308 eV; symmetry: R-3m → R-3m