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Formula : In
2
CoSe
4
Space Group :
Fd-3m (227)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 13.74
b = 13.74
c = 13.74
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 134
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.762
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 658918
Band structure with spin-orbit coupling