Phase diagram of Li2FeBr4 with Orb v3 conservative inf MPA; e_above_hull: 0.083267 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-Li2FeBr4 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -25.8155 eV; energy change = -0.0288 eV; symmetry: I4/mmm → I4/mmm