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Formula : Cs
3
Sn
4
Au
Space Group :
Pmmn (59)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 7.459
b = 13.707
c = 6.597
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 16
Total number of electrons per primitive cell = 188
Band gap = 0.0 eV
Direct Gap = 0.005 eV
Metallicity = 0.410
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 107446
Band structure with spin-orbit coupling