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Formula : Te
2
Pd
3
Space Group :
Cmcm (63)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.9
b = 12.687
c = 3.858
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 = 0.0 eV
Direct Gap = 0.011 eV
Metallicity = 0.630
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 87915
Band structure with spin-orbit coupling