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Formula : Nb
3
Te
4
Space Group :
P6_3/m (176)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 10.67
b = 10.67
c = 3.64
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 126
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.804
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 602365
Band structure with spin-orbit coupling