@mmoderwell

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -20.3650 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

FeCoNiPt (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed requested SG: Fm3m)

FeCoNiPt (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

Phase diagram of Mn7Ni2Bi; eabovehull: 1.254470 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -12.24 THz

Mn8Ni2Bi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Mn8Ni2Bi)

Phase diagram of Mn8NiBi; eabovehull: 2.449540 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -15.56 THz

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -58.1915 eV; energy change = -3.8872 eV; symmetry: Pmmm → Pmmm

Mn8NiBi (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -4.49 THz

Phase diagram of Mn4NiBi; eabovehull: 1.047519 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -39.9696 eV; energy change = -0.7430 eV; symmetry: P4/mmm → P4/mmm

Mn4NiBi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

MnNi2Bi (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

Mn2NiBi2 (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)

MnBiNi (space group: P3m1 #156, crystal system: trigonal, point group: 3m) (missed expected composition: MnBiNi)

MnCoBi (space group: P3m1 #156, crystal system: trigonal, point group: 3m)

Supercell 3x3x3 of Mn3FeBi (Space group: P4/nmm, 432 symmetry operations)

Phase diagram of Mn3FeBi; eabovehull: 0.192768 eV/atom; predicted_stable: False