Phase diagram of CsFeF4 with Orb v3 conservative inf MPA; e_above_hull: 0.000022 eV/atom; predicted_stable: True
Created by route
Calculate energy above the convex hull
template-CsFeF4 - relaxed 1
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -119.3998 eV; energy change = -0.1954 eV; symmetry: P4/nmm → P4/nmm