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; e_above_hull: 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 ZnFeCo; e_above_hull: 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; e_above_hull: 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)
Phase diagram of TmFeCo; e_above_hull: 0.126443 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -20.2635 eV; energy change = 0.0000 eV; symmetry: P-6m2 → P-6m2
FeCoTm (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
Phase diagram of MnNi; e_above_hull: 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; e_above_hull: 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