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)
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)
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 = -34.8895 eV; energy change = -0.0008 eV; symmetry: Pmm2 → Pmm2
MnCr2Co (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Mn2CrN (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
Phase diagram of MnCrFeCo; e_above_hull: 1.257992 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = 132.2463 eV; energy change = 13.5612 eV; symmetry: P3m1 → P1
MnFeCoCr (space group: P3m1 #156, crystal system: trigonal, point group: 3m)