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Formula : Tl
2
(CdSb)
3
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 17.328
b = 4.868
c = 16.793
α = 90.0
β = 139.42
γ = 90.0
Number of atoms per primitive cell = 16
Total number of electrons per primitive cell = 154
Band gap = 0.0 eV
Direct Gap = 0.146 eV
Metallicity = 0.038
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 76500
Band structure with spin-orbit coupling