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Formula : Li
2
CdGeO
4
Space Group :
Pmn2_1 (31)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 6.64
b = 5.47
c = 5.13
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 16
Total number of electrons per primitive cell = 92
Band gap = 2.3043 eV
Direct Gap = 2.548 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 20031
Band structure with spin-orbit coupling