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Formula : Co
2
Si
3
Space Group :
P-4c2 (116)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 5.234
b = 5.234
c = 8.543
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 184
Band gap = 0.0 eV
Direct Gap = 0.001 eV
Metallicity = 0.547
Topological Z2 indices ν = ?
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 625021
Band structure with spin-orbit coupling