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Formula : CsGaS
3
Space Group :
P2_1/c (14)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 7.558
b = 12.502
c = 6.411
α = 90.0
β = 107.75
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 160
Band gap = 2.6307 eV
Direct Gap = 2.708 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 281723
Band structure with spin-orbit coupling