• Formula : Ca2Si3Ag
  • Space Group : Fmmm (69)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.315
    b = 14.391
    c = 8.646
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 86
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.521
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New examples for the unexpected stability of the 10pi electron Hueckel arene (Si6)10-,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 625, 285 (1999)

Band structure with spin-orbit coupling