Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -74.0445 eV; energy change = -15.6827 eV; symmetry: I4/mcm → P1
Crystal structure generated by TreeQuest optimization (file 11)
Phase diagram of FeCoB2N; e_above_hull: 0.730833 eV/atom; predicted_stable: False