Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -116.6807 eV; energy change = -53.8135 eV; symmetry: P4/mmm → P1
Fe12SiAlN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe12SiAlN)
Phase diagram of AlFe12SiN; e_above_hull: 0.408540 eV/atom; predicted_stable: False