Phase diagram of CaNiAsF with Orb v3 conservative inf MPA; e_above_hull: 1.168766 eV/atom; predicted_stable: False
template-CaNiAsF - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -34.4385 eV; energy change = -0.4230 eV; symmetry: P4/nmm → P4/nmm
Created by route
Calculate energy above the convex hull