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Formula : Co
8
RuS
8
Space Group :
Fm-3m (225)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 9.934
b = 9.934
c = 9.934
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 17
Total number of electrons per primitive cell = 200
Band gap = 0.0 eV
Direct Gap = 0.017 eV
Metallicity = 0.699
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 624822
Band structure with spin-orbit coupling