• Formula : RbAg3Se2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 16.654
    b = 4.407
    c = 8.854
    α = 90.0
    β = 113.92
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0425 eV
    Direct Gap = 0.043 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternaere Selenide des Silbers,
    Journal of the Less-Common Metals 60, P5 (1978)

Band structure with spin-orbit coupling