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Formula : Al
3
Pd
5
Space Group :
Pbam (55)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.35
b = 10.41
c = 4.03
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 16
Total number of electrons per primitive cell = 198
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.869
Topological Z2 indices ν = (0;011)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 58118
Band structure with spin-orbit coupling