• Formula : Bi2TeI
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.586
    b = 4.38
    c = 17.741
    α = 90.0
    β = 98.2
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 86
  • Band gap = 0.0 eV
    Direct Gap = 0.126 eV
    Metallicity = 0.008
    Topological Z2 indices ν = (0;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 153858

Band structure with spin-orbit coupling