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

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

Phase diagram of ErCo; eabovehull: 0.413443 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -11.2886 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

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

Phase diagram of FeCu; eabovehull: 0.146958 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -12.2303 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

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

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

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -17.5557 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

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

Phase diagram of MnCuNi; eabovehull: 0.122644 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -18.7678 eV; energy change = -0.0077 eV; symmetry: P3m1 → P3m1

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

Phase diagram of MnNi; eabovehull: 0.144731 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -14.7549 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

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

Phase diagram of FeCo; eabovehull: 0.157973 eV/atom; predicted_stable: False

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -15.3505 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2

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