Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.4680 eV; energy change = -0.0125 eV; symmetry: Pmm2 → Pmm2
FeMnSi2 (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
Phase diagram of FeCoNiMo; e_above_hull: 1.059388 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -28.1748 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm
FeCoNiMo (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)
Phase diagram of ZrFeCoMo; e_above_hull: 1.361681 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.4046 eV; energy change = -135.5447 eV; symmetry: P3m1 → P1
FeCoZrMo (space group: P3m1 #156, crystal system: trigonal, point group: 3m)
Phase diagram of NbFeCoMo; e_above_hull: 0.212853 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -36.0732 eV; energy change = -0.0765 eV; symmetry: P4mm → P4mm
FeCoNbMo (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)
FeCo (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -419.5555 eV; energy change = -16869.5126 eV; symmetry: C2 → P1
Fe12Co12Cr10Mn8V8 (space group: C2 #5, crystal system: monoclinic, point group: 2)
Phase diagram of NbAlFeCo; e_above_hull: 0.947925 eV/atom; predicted_stable: False
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.1749 eV; energy change = -2.2955 eV; symmetry: P4mm → P4mm
FeCoNbAl (space group: P4mm #99, crystal system: tetragonal, point group: 4mm)
Bi2Se3 (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -71.0853 eV; energy change = -45.9213 eV; symmetry: P1 → P1
Fe3Co3V1Cr1Mn1 (space group: P1 #1, crystal system: triclinic, point group: 1)