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Formula : KIn(GeO
3
)
2
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 10.304
b = 9.509
c = 5.617
α = 90.0
β = 104.9
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 132
Band gap = 2.731 eV
Direct Gap = 2.805 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 65337
Band structure with spin-orbit coupling