• Formula : RbAg5Se3
  • Space Group : P4/nbm (125)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.0814
    b = 6.0814
    c = 11.112
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.099
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis of two new metallic alkali metal silver selenides, K2 Ag12 Se7.11 and Rb Ag5 Se3, from supercritical ethylenediamine,
    Journal of Solid State Chemistry 144, 287 (1999)

Band structure with spin-orbit coupling