• Formula : OsCl4
  • Space Group : Cmmm (65)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.929
    b = 8.326
    c = 3.56
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.322 eV
    Metallicity = 0.353
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of the high-temperature form of osmium(IV) chloride,
    Inorganic Chemistry 16, 1865 (1977)

Band structure with spin-orbit coupling