• Formula : CdPd
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.0276
    b = 3.0276
    c = 3.631
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 30
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.577
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Phase stability investigation of the Pd-Cd System. II. Structural studies.,
    Metallurgical Transactions A: Physical Metallurgy and Materials Science 13, 1123 (1982)

Band structure with spin-orbit coupling