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

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.3823 eV; energy change = -0.0125 eV; symmetry: P3m1 → P3m1

FeCoTa (space group: P3m1 #156, crystal system: trigonal, point group: 3m)

Phase diagram of AlFe2Co; eabovehull: 0.134595 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.3771 eV; energy change = -0.0092 eV; symmetry: Pmm2 → Pmm2

Fe2CoAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)

Phase diagram of TaFe2Co; eabovehull: 0.056542 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.3134 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm

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

Phase diagram of TaFe2; eabovehull: 0.168183 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.7925 eV; energy change = -0.0012 eV; symmetry: P-3m1 → P-3m1

Fe2Ta (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)