Phase diagram of Fe5B2As with Orb v3 conservative inf MPA; e_above_hull: 0.032111 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-Fe5B2As - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -124.5938 eV; energy change = -0.4656 eV; symmetry: I4/mcm → I4/mcm