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)

Phase diagram of MnFe2CoSi; eabovehull: 5.375000 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -12.4828 eV; energy change = -0.0001 eV; symmetry: P4/mmm → P4/mmm

Fe2CoMnSi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)

Phase diagram of FeCoBMo; eabovehull: 8.378539 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -0.8652 eV; energy change = -0.0002 eV; symmetry: P4/mmm → P4/mmm

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

Phase diagram of ZrFeCoB; eabovehull: 2.090971 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.4699 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

FeCoZrB (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)