• Formula : Ta6S
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.243
    b = 7.572
    c = 7.611
    α = 59.32
    β = 68.58
    γ = 77.18
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 0.020 eV
    Metallicity = 0.355
    Topological Z2 indices ν = (1;100)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 202564

Band structure with spin-orbit coupling