• Formula : SiAg2O3
  • Space Group : P2_12_12_1 (19)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.527
    b = 7.108
    c = 9.959
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 176
  • Band gap = 0.7676 eV
    Direct Gap = 0.773 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Silber(I)-catena-Polysilicat: Kristallzuechtung und Strukturanalyse,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 601, 5 (1991)

Band structure with spin-orbit coupling