• Formula : Te3Cl2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.136
    b = 8.635
    c = 7.039
    α = 90.0
    β = 100.74
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 1.2807 eV
    Direct Gap = 1.345 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur kenntnis der Subhalogenide des Tellurs,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 422, 17 (1976)

Band structure with spin-orbit coupling