• Formula : Ta2Tl3Cu3S8
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 19.398
    b = 5.545
    c = 7.224
    α = 90.0
    β = 96.03
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 146
  • Band gap = 0.3824 eV
    Direct Gap = 0.101 eV
    Metallicity = 1.000
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 406210

Band structure with spin-orbit coupling