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Formula : Co
2
C
Space Group :
Pmnn (58)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 2.8969
b = 4.4465
c = 4.3707
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 44
Band gap = 0.0 eV
Direct Gap = 0.023 eV
Metallicity = 0.344
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 16895
Band structure with spin-orbit coupling