• Formula : Bi14Mo5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 34.476
    b = 5.6414
    c = 8.6433
    α = 90.0
    β = 99.69
    γ = 90.0
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 280
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.650
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural elucidation of the Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6) family of fluorite superstructures by transmission electron microscopy,
    Acta Crystallographica Section B 65, 458 (2009)

Band structure with spin-orbit coupling