• Formula : Tl4SnTe3
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.836
    b = 8.836
    c = 13.052
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 0.057 eV
    Metallicity = 0.193
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Phase equilibria in the Tl-Pb-Te system and crystal structures of Tl4 B(IV) X3 and Tl9 B(V) X5 compounds,
    Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 24, 1479 (1988)

Band structure with spin-orbit coupling