• Formula : CsSn2Br5
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.483
    b = 8.483
    c = 15.28
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 144
  • Band gap = 2.2729 eV
    Direct Gap = 2.444 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Evidence for cluster orbital formation in Cs Sn2 X5 compounds (X=Cl, Br),
    Journal of Solid State Chemistry 160, 382 (2001)

Band structure with spin-orbit coupling