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Formula : Cs
2
Te
2
Pt
Space Group :
Immm (71)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 11.387
b = 9.25
c = 3.994
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 5
Total number of electrons per primitive cell = 40
Band gap = 0.7283 eV
Direct Gap = 0.972 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 627076
Band structure with spin-orbit coupling