• Formula : Cs3CoCl5
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.0793
    b = 9.0793
    c = 14.4862
    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 = 0.321
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Cs~3~CoCl~5~ at 10K,
    Acta Crystallographica Section C 57, 139 (2001)

Band structure with spin-orbit coupling