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Formula : Ca
3
GeO
Space Group :
Imma (74)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 6.6808
b = 6.6888
c = 9.4511
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 80
Band gap = 0.0 eV
Direct Gap = 0.015 eV
Metallicity = 0.010
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 413383
Band structure with spin-orbit coupling