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Formula : Ca
3
GeO
Space Group :
Pm-3m (221)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 4.728
b = 4.728
c = 4.728
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 5
Total number of electrons per primitive cell = 40
Band gap = 0.0 eV
Direct Gap = 0.015 eV
Metallicity = 0.008
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 402087
Band structure with spin-orbit coupling