Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.5567 eV; energy change = -0.0596 eV; symmetry: P4/mmm → P4/mmm

Phase diagram of MnFe8Bi; eabovehull: 0.511051 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -5.25 THz

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -75.3464 eV; energy change = -1.7055 eV; symmetry: P4/mmm → P4/mmm

MnFe6Bi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

MnFe8Bi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -6.18 THz

Phase diagram of MnFe4Bi; eabovehull: 0.732068 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -42.3332 eV; energy change = -0.1484 eV; symmetry: P4/mmm → P4/mmm

Fe4MnBi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4MnBi)

Supercell 2x2x2 of Mn2Fe2NiBi (Space group: Pm, 16 symmetry operations)

Phase diagram of Mn2Fe2NiBi; eabovehull: 9.383038 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -18.45 THz

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 11.3740 eV; energy change = -15.8014 eV; symmetry: P4/mmm → P4/mmm

Fe2Mn2BiNi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2Mn2BiNi)

Phase diagram of MnBi; eabovehull: 0.184241 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.2515 eV; energy change = 0.0000 eV; symmetry: P63/mmc → P63/mmc

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

mp-568382

Phase diagram of Fe3CoN; eabovehull: 0.080521 eV/atom; predicted_stable: False