• Formula : TaTeBr9
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.613
    b = 11.363
    c = 10.014
    α = 90.0
    β = 102.65
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 164
  • Band gap = 1.7715 eV
    Direct Gap = 1.828 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 410949

Band structure with spin-orbit coupling