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Formula : Cs
2
Bi
2
Pd
Space Group :
Cmcm (63)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.0791
b = 15.2001
c = 6.9007
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 132
Band gap = 0.4422 eV
Direct Gap = 0.496 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 658703
Band structure with spin-orbit coupling