Phase diagram of Mn3Bi with Orb v3 conservative inf MPA; e_above_hull: 0.431069 eV/atom; predicted_stable: False
Created by route
Calculate energy above the convex hull
Mn3Bi (P6_3/mmc) - DFT relaxed
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -22226.6894 eV; energy change = -0.5488 eV