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Formula : Y
2
Te
3
Space Group :
Fddd (70)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 12.228
b = 8.645
c = 25.935
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 160
Band gap = 0.1831 eV
Direct Gap = 0.183 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 653174
Band structure with spin-orbit coupling