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Formula : Sb
8
Te
3
Space Group :
R-3m (166)
Centrosymmetric : True
Dimensionality : Unknown
Structure parameters
a = 4.27125
b = 4.27125
c = 63.8957
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 11
Total number of electrons per primitive cell = 58
Band gap = 0.0 eV
Direct Gap = 0.076 eV
Metallicity = 0.042
Topological Z2 indices ν = (1;111)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 152188
Band structure with spin-orbit coupling