• Formula : Ba2CdTe3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.8405
    b = 4.7502
    c = 19.1008
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 200
  • Band gap = 1.2195 eV
    Direct Gap = 1.220 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Redetermination of Ba~2~CdTe~3~ from single-crystal X-ray data,
    Acta Crystallographica Section E 68, i77 (2012)

Band structure with spin-orbit coupling