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Formula : Na
6
CoSe
4
Space Group :
P6_3mc (186)
Centrosymmetric : False
Dimensionality : 1D
Structure parameters
a = 9.306
b = 9.306
c = 7.167
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 22
Total number of electrons per primitive cell = 190
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.795
Topological Z2 indices ν = ?
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 68604
Band structure with spin-orbit coupling