Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -145.8535 eV; energy change = -28.5472 eV; symmetry: Pc → P1

Fe14B2N2 (space group: Pc #7, crystal system: monoclinic, point group: m)

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

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

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -20.0913 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

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

Fe2NiAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

Fe2AlB2 (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)

Fe2CoTa (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)

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

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

Phase diagram of FeCoNiPt; eabovehull: 0.000000 eV/atom; predicted_stable: True

Phase diagram of FeCoNiPt; eabovehull: 0.000000 eV/atom; predicted_stable: True

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

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -225.8460 eV; energy change = -171.9141 eV; symmetry: Fm-3m → P1

FeCoNiPt (space group: Fm-3m #225, crystal system: cubic, point group: m-3m)

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -20.0913 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

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

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)