• Formula : Ta3SBr7
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 12.249
    b = 7.071
    c = 8.829
    α = 90.0
    β = 134.421
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 94
  • Band gap = 0.7877 eV
    Direct Gap = 0.789 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 51101

Band structure with spin-orbit coupling