• Formula : Si(AgO)4
  • Space Group : P4_2/n (86)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.3169
    b = 7.3169
    c = 4.9595
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 144
  • Band gap = 0.7549 eV
    Direct Gap = 1.117 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis and crystal structure of silver nesosilicate, Ag4 Si O4,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 634, 1077 (2008)

Band structure with spin-orbit coupling