• Formula : Rb2SnAs2
  • Space Group : Ibam (72)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 13.974
    b = 7.454
    c = 6.942
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 84
  • Band gap = 0.825 eV
    Direct Gap = 1.092 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    SiS~2~-isostrukturelle Anionen (SiP~2~^2-^),(GeAs~2~^2-^) und (SnAs~2~^2-^) in Alkaliverbindungen,
    Journal of the Less-Common Metals 175, 109 (1991)

Band structure with spin-orbit coupling