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Formula : KIn
5
S
8
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 19.06
b = 3.845
c = 9.217
α = 90.0
β = 103.25
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 122
Band gap = 1.4591 eV
Direct Gap = 1.552 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 40875
Band structure with spin-orbit coupling