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Formula : Cs
6
GaSb
3
Space Group :
P2_1/m (11)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 10.858
b = 6.49
c = 12.729
α = 90.0
β = 101.12
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 164
Band gap = 0.7326 eV
Direct Gap = 0.805 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 300216
Band structure with spin-orbit coupling