Phase diagram of Li2MnCrAs2 with Orb v3 conservative inf MPA; e_above_hull: 0.125026 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-Li2MnCrAs2 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -33.7056 eV; energy change = -0.0401 eV; symmetry: P-4m2 → P-4m2