• Formula : Rb2SiS3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 13.23
    b = 6.864
    c = 9.53
    α = 90.0
    β = 125.15
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 80
  • Band gap = 2.8708 eV
    Direct Gap = 2.943 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of tetrarubidium hexathiodisilicate(IV), Rb~4~Si~2~S~6~,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 219, 361 (2004)

Band structure with spin-orbit coupling