Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.74 THz

Relaxed with Orb v3; 0.02 eV/Å threshold; final energy = -25.5993 eV; energy change = -0.2897 eV; symmetry: P-3m1 → P-3m1

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -5.98 THz

Phase diagram of Fe5Si(NiN)2; eabovehull: 0.577460 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 195.8108 eV; energy change = -41498.1736 eV; symmetry: P-4m2 → P1

Fe8Ni2SiN2 (space group: P-4m2 #115, crystal system: tetragonal, point group: -42m) (missed expected composition: Fe8Ni2SiN2)

Phase diagram of MnAlFe2N; eabovehull: 0.511286 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -38.2883 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2MnAlN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2MnAlN)

Phase diagram of MnAlFe2B; eabovehull: 0.245243 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.9687 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

Fe2MnAlB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2MnAlB)

Phase diagram of Mn2Fe6SiB; eabovehull: 0.692623 eV/atom; predicted_stable: False