Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.9630 eV; energy change = -0.0786 eV; symmetry: P4/mmm → P4/mmm
(Space group: P4/mmm #123, Crystal system: tetragonal, Point group: 4/mmm)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Supercell 3x3x3 of Fe4N (Space group: P4/mmm, 432 symmetry operations)
Phase diagram of Fe4N; e_above_hull: 0.095540 eV/atom; predicted_stable: False