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Formula : Na
4
GeO
4
Space Group :
P-1 (2)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 5.688
b = 5.701
c = 8.583
α = 81.32
β = 71.5
γ = 67.95
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 128
Band gap = 3.0167 eV
Direct Gap = 3.101 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 61496
Band structure with spin-orbit coupling