Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.2952 eV; energy change = -147.9803 eV; symmetry: P3m1 → Pm
MnFeCoCr (space group: P3m1 #156, crystal system: trigonal, point group: 3m)
Phase diagram of DyFe; eabovehull: 0.525336 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -12.1264 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
FeDy (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)
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)
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)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -11.1845 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
TmCo (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -14.1948 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
FeNi (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
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)
TmCo (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)