Phase diagram of CaFe4O9 with Orb v3 conservative inf MPA; e_above_hull: 0.311367 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-CaFe4O9 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -170.8123 eV; energy change = -0.0232 eV; symmetry: P4/n → P4/n