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 = -18.6897 eV; energy change = -0.0112 eV; symmetry: P3m1 → P3m1

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

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.2595 eV; energy change = -0.0024 eV; symmetry: P4/mmm → P4/mmm

Fe4MnSiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe4MnSiB2)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.9531 eV; energy change = -0.0143 eV; symmetry: P4/mmm → P4/mmm

Fe5SiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Phase diagram of Fe8N; eabovehull: 1.507819 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2035 eV; energy change = -0.2049 eV; symmetry: P63/mmc → P63/mmc

Fe16N2 (space group: P6_3/mmc #194, crystal system: hexagonal, point group: 6/mmm) (missed expected composition: Fe16N2)