• Formula : Rb2AgCl3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.205
    b = 4.4822
    c = 17.8738
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 200
  • Band gap = 2.9077 eV
    Direct Gap = 2.908 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Dirubidium <i>catena</i>-poly[dichloroargentate(I)-\m-chloro],
    Acta Crystallographica Section C 55, 1208 (1999)

Band structure with spin-orbit coupling