• Formula : Rb2WCl6
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.957
    b = 9.957
    c = 9.957
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.352
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of dirubidium hexachlorotungstate(IV), Rb~2~[WCl~6~],
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 217, 301 (2002)

Band structure with spin-orbit coupling