@mmoderwell

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -88.5203 eV; energy change = -0.1706 eV; symmetry: Pm-3m → Pm-3m

Fe9Bi3N (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)

Phase diagram of Fe9Bi3S; eabovehull: 1.907304 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -67.9435 eV; energy change = -0.2818 eV; symmetry: Pm-3m → Pm-3m

Fe7BiS (space group: Pm-3m #221, crystal system: cubic, point group: m-3m) (missed expected composition: Fe7BiS)

Fe9Bi3S (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

Phase diagram of Fe3CoTe; eabovehull: 2.111855 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -25.4730 eV; energy change = 0.0000 eV; symmetry: Pm-3m → Pm-3m

Fe3CoTe (space group: Pm-3m #221, crystal system: cubic, point group: m-3m)

Phase diagram of Fe4CoTe; eabovehull: 0.603236 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -40.8724 eV; energy change = -0.3213 eV; symmetry: P4/mmm → P4/mmm

Fe4TeCo (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4TeCo)

Phase diagram of FeCoTe2; eabovehull: 0.099749 eV/atom; predicted_stable: False

Phase diagram of Fe5SiB2; eabovehull: 0.376477 eV/atom; predicted_stable: False

Phase diagram of MnFe4SiB2; eabovehull: 0.442220 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.1333 eV; energy change = -0.0415 eV; symmetry: Pccm → Pccm

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.35 THz

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

Phase diagram of Fe2Co4Sb; eabovehull: 0.286817 eV/atom; predicted_stable: False