• Formula : TlV5S8
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 17.465
    b = 3.301
    c = 8.519
    α = 90.0
    β = 103.94
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 126
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.550
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation, properties and crystal structure of Tl V5 S8,
    Materials Research Bulletin 12, 1 (1977)

Band structure with spin-orbit coupling