• Formula : Co(IN2)3
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.88
    b = 10.88
    c = 10.88
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.033 eV
    Metallicity = 0.289
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Hexamine-cobalti-iodide (Co (N H3)6) I3 _cod_database_code 1010603,
    American Journal of Science 13, 223 (1927)

Band structure with spin-orbit coupling