• Formula : Cs2Cd3Te4
  • Space Group : Ibam (72)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.667
    b = 13.01
    c = 15.39
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 156
  • Band gap = 1.5731 eV
    Direct Gap = 1.573 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Syntheses, crystal structures, and band gaps of Cs2 Cd3 Te4 and Rb2 Cd3 Te4,
    Journal of Alloys Compd. 306, 170 (2000)

Band structure with spin-orbit coupling