• Formula : Ag2PbO2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.0775
    b = 8.704
    c = 6.553
    α = 90.0
    β = 93.545
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 96
  • Band gap = 0.9851 eV
    Direct Gap = 1.337 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ag2 Pb O2, Optimierung der Kristallzuechtung und Verfeinerung der Kristallstruktur,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 579, 123 (1989)

Band structure with spin-orbit coupling