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Formula : Na
4
WO
5
Space Group :
P-1 (2)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 5.694
b = 8.477
c = 5.657
α = 101.29
β = 102.25
γ = 109.2
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 188
Band gap = 0.0 eV
Direct Gap = 0.022 eV
Metallicity = 0.061
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 85063
Band structure with spin-orbit coupling