• Formula : Cs3CoBr5
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.46
    b = 9.46
    c = 15.04
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 158
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.390
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of tricesium tetrabromocobalte(II) bromide, Cs3 Co Br5, at 4.2 K by neutron diffraction,
    Australian Journal of Chemistry 34, 2495 (1981)

Band structure with spin-orbit coupling