Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -144.1474 eV; energy change = -0.1651 eV; symmetry: I4/mmm → I4/mmm
Fe16N2 (Space group: I4/mmm #139, Crystal system: tetragonal, Point group: 4/mmm)
Phase diagram of Fe16N3; e_above_hull: 0.224104 eV/atom; predicted_stable: False