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Formula : Al
2
Ru
Space Group :
Fddd (70)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 8.015
b = 4.715
c = 8.78
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 44
Band gap = 0.0583 eV
Direct Gap = 1.223 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 609228
Band structure with spin-orbit coupling