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Formula : In
2
Te
3
Space Group :
R-3m (166)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 4.143
b = 4.143
c = 26.76
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 5
Total number of electrons per primitive cell = 44
Band gap = 0.0 eV
Direct Gap = 0.088 eV
Metallicity = 0.340
Topological Z2 indices ν = (1;111)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 657607
Band structure with spin-orbit coupling