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Formula : In
2
Te
Space Group :
Pnnm (58)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 15.35
b = 12.62
c = 4.46
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 256
Band gap = 0.0 eV
Direct Gap = 0.019 eV
Metallicity = 0.909
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 640618
Band structure with spin-orbit coupling