Phase diagram of Ca3Mn2O7 with Orb v3 conservative inf MPA; e_above_hull: 0.054686 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
template-Ca3Mn2O7 - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -82.0182 eV; energy change = -0.0012 eV; symmetry: I4/mmm → I4/mmm