• Formula : Te2Br
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 14.921
    b = 12.843
    c = 4.005
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 152
  • Band gap = 0.0 eV
    Direct Gap = 0.462 eV
    Metallicity = 0.060
    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