• Formula : Ba3(CdSb2)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 17.8351
    b = 4.8675
    c = 7.6837
    α = 90.0
    β = 112.214
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.034 eV
    Metallicity = 0.033
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, Structure, and Bonding of the Zintl Phase Ba3Cd2Sb4,
    Inorganic Chemistry 47, 11237 (2008)

Band structure with spin-orbit coupling