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Formula : KAg
3
Te
2
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 17.43
b = 4.587
c = 9.044
α = 90.0
β = 113.33
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 108
Band gap = 0.156 eV
Direct Gap = 0.174 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 402230
Band structure with spin-orbit coupling