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Formula : TaSbRu
Space Group :
F-43m (216)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 6.135
b = 6.135
c = 6.135
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 3
Total number of electrons per primitive cell = 34
Band gap = 0.5913 eV
Direct Gap = 1.622 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 107123
Band structure with spin-orbit coupling