Phase diagram of ZrNbFe4 with Orb v3 conservative inf MPA; e_above_hull: 0.016647 eV/atom; predicted_stable: True
Created by route
Calculate energy above the convex hull
template-ZrNbFe4 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -107.1396 eV; energy change = -0.0236 eV; symmetry: P-3m1 → P-3m1