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Formula : Al
2
Pd
Space Group :
Fm-3m (225)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.8
b = 5.8
c = 5.8
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 3
Total number of electrons per primitive cell = 24
Band gap = 0.0 eV
Direct Gap = 0.018 eV
Metallicity = 0.855
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 58116
Band structure with spin-orbit coupling