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Formula : TaNi
2
Te
3
Space Group :
P2_1/m (11)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.473
b = 3.708
c = 10.074
α = 90.0
β = 106.78
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 102
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.972
Topological Z2 indices ν = (1;010)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 82605
Band structure with spin-orbit coupling