Phase diagram of KMnF3 with Orb v3 conservative inf MPA; e_above_hull: 0.001358 eV/atom; predicted_stable: True
Created by route
Calculate energy above the convex hull
template-KMnF3 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -56.0647 eV; energy change = -0.1096 eV; symmetry: I4/mcm → I4/mcm