• Formula : Tl4SiS4
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 12.518
    b = 11.241
    c = 7.567
    α = 90.0
    β = 112.8
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 160
  • Band gap = 0.2559 eV
    Direct Gap = 0.160 eV
    Metallicity = 1.000
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 59170

Band structure with spin-orbit coupling