• Formula : Ti2Cd
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.865
    b = 2.865
    c = 13.42
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 36
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.217
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of Ti Cd and Ti2 Cd,
    Transactions of the Metallurgical Society of Aime 224, 867 (1962)

Band structure with spin-orbit coupling