Phase diagram of Fe6BN; e_above_hull: 0.327270 eV/atom; predicted_stable: False
GEPA-iteration-21-v01.cif - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -262.2099 eV; energy change = -65.1517 eV; symmetry: P4 → P1
Created by route
Calculate energy above the convex hull