• Formula : Tl3SbS4
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.285
    b = 6.364
    c = 11.647
    α = 94.61
    β = 98.51
    γ = 103.93
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 136
  • Band gap = 0.0 eV
    Direct Gap = 0.058 eV
    Metallicity = 1.000
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of synthetic Tl3 Sb S4,
    Zeitschrift fuer Kristallographie (149,1979-) 157, 299 (1981)

Band structure with spin-orbit coupling