Supercell 3x3x3 of AlFe2Co (Space group: Pmm2, 108 symmetry operations)
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -142.8136 eV; energy change = -0.0201 eV; symmetry: C2/m → C2/m
Phase diagram of Fe4CoNiP2; eabovehull: 0.398515 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -57.5110 eV; energy change = -0.5353 eV; symmetry: Pm → Pm
Fe4CoNiP2 (space group: Pm #6, crystal system: monoclinic, point group: m)
Phase diagram of AlFeCoNi; eabovehull: 0.687361 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -23.8257 eV; energy change = -0.5630 eV; symmetry: P4mm → P4mm
FeCoNiAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)
Phase diagram of AlFe2CoSi; eabovehull: 16.183989 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 163.4297 eV; energy change = -12314.2383 eV; symmetry: P4mm → P1
Fe2CoAlSi (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)
Phase diagram of TaFeCoB; eabovehull: 5.575696 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -13.7075 eV; energy change = -0.0001 eV; symmetry: P4/mmm → P4/mmm
FeCoTaB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe12Co2BN; eabovehull: 1.983509 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -101.7875 eV; energy change = -47.0249 eV; symmetry: P4/mmm → P1
Fe12Co2BN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of TaFeCo; eabovehull: 0.219286 eV/atom; predicted_stable: False