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)
5 unique crystal structures for composition SnS
Phase diagram of ZnFeCo; eabovehull: 0.061105 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -16.8397 eV; energy change = -0.0046 eV; symmetry: P3m1 → P3m1
FeCoZn (space group: P3m1 #156, crystal system: trigonal, point group: 3m)
Phase diagram of CrFeCo; eabovehull: 0.115611 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -24.8723 eV; energy change = -0.0012 eV; symmetry: P3m1 → P3m1
FeCoCr (space group: P3m1 #156, crystal system: trigonal, point group: 3m)
FeCoCr (space group: P3m1 #156, crystal system: trigonal, point group: 3m)