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Formula : Ca
2
Ni
3
Ge
2
Space Group :
Pmma (51)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 9.0975
b = 4.0138
c = 7.019
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 116
Band gap = 0.0 eV
Direct Gap = 0.002 eV
Metallicity = 0.884
Topological Z2 indices ν = (1;100)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 421074
Band structure with spin-orbit coupling