8 generated crystal structures for the chemical system Fe-Bi-Te

Fe6Bi2Te3 (space group: R-3m #166, crystal system: trigonal, point group: -3m) (missed expected composition: Fe6Bi2Te3)

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

Phase diagram of MnBi; eabovehull: 0.184240 eV/atom; predicted_stable: False

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

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -19.1233 eV; energy change = 0.0000 eV; symmetry: P2/m → P2/m

Supercell 3x3x3 of FeCo2Pt (Space group: Pmm2, 108 symmetry operations)

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

Phase diagram of FeCo2Pt; eabovehull: 0.017357 eV/atom; predicted_stable: True

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1047 eV; energy change = -0.0019 eV; symmetry: P4/mmm → P4/mmm

2 unique crystal structures for composition FeNiCoPt

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -4.25 THz

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