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Formula : K
2
CoO
2
Space Group :
P2_1/c (14)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 6.515
b = 9.5298
c = 6.957
α = 90.0
β = 117.29
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 188
Band gap = 0.0211 eV
Direct Gap = 0.033 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 74940
Band structure with spin-orbit coupling