Fe2NiSiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2NiSiB)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -10.4390 eV; energy change = -2.1455 eV; symmetry: P-6m2 → P-6m2

FeNiMnAlB2 (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2) (missed expected composition: FeNiMnAlB2)

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.94 THz

Phase diagram of Fe4CoNiPt; eabovehull: 0.334216 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -51.1571 eV; energy change = -0.0616 eV; symmetry: P4/mmm → P4/mmm

Phase diagram of Fe8N; eabovehull: 1.507782 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2039 eV; energy change = -0.2048 eV; symmetry: P63/mmc → P63/mmc

Fe4CoNiPt (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

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

Phase diagram of MnFe4NiB2; eabovehull: 0.444255 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -60.7034 eV; energy change = -0.0001 eV; symmetry: P4/mmm → P4/mmm

Fe4MnNiB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Phase diagram of MnCr(Fe2B)2; eabovehull: 0.353456 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -65.2168 eV; energy change = -0.0457 eV; symmetry: P4/mmm → P4/mmm

Fe4MnCrB2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Phase diagram of MnFe3SiB2; eabovehull: 0.551054 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -52.3608 eV; energy change = -3.3741 eV; symmetry: Pm → Pm

Fe3Ni2MnSiB2 (space group: Pm #6, crystal system: monoclinic, point group: m)

Phase diagram of MnFe2SiB2; eabovehull: 0.975605 eV/atom; predicted_stable: False