Phase diagram of Zn2NiS3 with Orb v3 conservative inf MPA; e_above_hull: 0.091342 eV/atom; predicted_stable: False
template-Zn2NiS3 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -24.1382 eV; energy change = -0.0161 eV; symmetry: P3m1 → P3m1
Created by route
Calculate energy above the convex hull