• Formula : BiI
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 14.386
    b = 4.43
    c = 10.493
    α = 90.0
    β = 107.87
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 88
  • Band gap = 0.1394 eV
    Direct Gap = 0.155 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Wismutmonojodid Bi J, eine Verbindung mit Bi(0) und Bi(II),
    Zeitschrift fuer Anorganische und Allgemeine Chemie 438, 37 (1978)

Band structure with spin-orbit coupling