• Formula : Rb2S3
  • Space Group : Cmc2_1 (36)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.513
    b = 10.375
    c = 7.769
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 72
  • Band gap = 1.2787 eV
    Direct Gap = 1.345 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Kristallstruktur der Dialkalimetalltrichalkogenide Rb2 S3, Rb2 Se3, Cs2 S3 und Cs2 Se3,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 461, 13 (1980)

Band structure with spin-orbit coupling