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Formula : Na
3
Co
2
SbO
6
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 5.3681
b = 9.2849
c = 5.637
α = 90.0
β = 108.506
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 102
Band gap = 0.0 eV
Direct Gap = 0.015 eV
Metallicity = 0.370
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 245538
Band structure with spin-orbit coupling