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Formula : Ag
9
Ge
2
IO
8
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 17.3736
b = 6.9177
c = 5.7176
α = 90.0
β = 105.501
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 162
Band gap = 0.0 eV
Direct Gap = 0.035 eV
Metallicity = 0.118
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 380303
Band structure with spin-orbit coupling