• Formula : TlSbS2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.123
    b = 6.293
    c = 11.838
    α = 101.34
    β = 98.39
    γ = 103.21
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 120
  • Band gap = 1.3814 eV
    Direct Gap = 1.381 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sur les composes III-V-VI: Etude structurale du disulfure d'antimoine et de thallium, TlSbS2 Locality: synthetic,
    Acta Crystallographica, Section C 39, 971 (1983)

Band structure with spin-orbit coupling