Phase diagram of Cr8Fe2CuNiS16 with Orb v3 conservative inf MPA; e_above_hull: 0.043580 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-Cr8Fe2CuNiS16 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -186.2602 eV; energy change = -0.0153 eV; symmetry: R3m → R3m