• Formula : SnPbO3
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.7186
    b = 10.7186
    c = 10.7186
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 184
  • Band gap = 0.0 eV
    Direct Gap = 0.014 eV
    Metallicity = 0.202
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sur un compose de type pyrochlore de formule Pb2Sn2O6(H2O)X _cod_database_code 1001093,
    Annales de Chimie 1971, 109 (1971)

Band structure with spin-orbit coupling