• Formula : Cu4Pd
  • Space Group : P4_2/m (84)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.826
    b = 5.826
    c = 7.328
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 248
  • Band gap = 0.0 eV
    Direct Gap = 0.013 eV
    Metallicity = 0.640
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ordering reaction of the Cu4 Pd alloys,
    Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers 200, 1076 (1954)

Band structure with spin-orbit coupling