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Formula : TiCu
2
Te
3
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 19.731
b = 3.97
c = 7.077
α = 90.0
β = 95.9
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 104
Band gap = 0.0 eV
Direct Gap = 0.016 eV
Metallicity = 0.199
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 402631
Band structure with spin-orbit coupling