• Formula : ZrCd3
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.4151
    b = 4.4151
    c = 4.307
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 40
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.628
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    On the crystal structure of Cd-Zr intermetallic compounds,
    Acta Crystallographica B (24,1968-38,1982) 25, 1010 (1969)

Band structure with spin-orbit coupling