• Formula : Cd3Au
  • Space Group : P6_3cm (185)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.147
    b = 8.147
    c = 8.511
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 282
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.689
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstruktur von Au Cd3,
    Journal of the Less-Common Metals 51, 225 (1977)

Band structure with spin-orbit coupling