Phase diagram of Cr3In(CoS4)2 with Orb v3 conservative inf MPA; e_above_hull: 0.112281 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-Cr3In(CoS4)2 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -85.6335 eV; energy change = -0.0150 eV; symmetry: R-3m → R-3m