• Formula : Ta2Se8I
  • Space Group : I422 (97)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 9.531
    b = 9.531
    c = 12.824
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 162
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.105
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35190

Band structure with spin-orbit coupling