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Formula : K
2
WO
4
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 12.39
b = 6.105
c = 7.56
α = 90.0
β = 115.96
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 140
Band gap = 4.4673 eV
Direct Gap = 4.634 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 26181
Band structure with spin-orbit coupling