• Formula : Cs2SiSe4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 15.148
    b = 7.5988
    c = 10.0568
    α = 90.0
    β = 121.833
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 92
  • Band gap = 2.0342 eV
    Direct Gap = 2.048 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of tetracesium octaselenidodisilicate, Cs~4~Si~2~Se~8~,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 220, 12 (2005)

Band structure with spin-orbit coupling