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Formula : Sc
2
Co
3
Si
5
Space Group :
Ibam (72)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 9.206
b = 11.26
c = 5.32
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 186
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.772
Topological Z2 indices ν = (1;111)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 624956
Band structure with spin-orbit coupling