Phase diagram of Mn12Zn4CN3 with Orb v3 conservative inf MPA; e_above_hull: 0.010967 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -152.0793 eV; energy change = -0.0024 eV; symmetry: P4/mmm → P4/mmm