• Formula : Sr2PbO4
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.155
    b = 10.06
    c = 3.498
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 116
  • Band gap = 1.6272 eV
    Direct Gap = 1.816 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Struktur der Verbindungen vom Sr2 Pb O4-Typ,
    Naturwissenschaften 52, 492 (1965)

Band structure with spin-orbit coupling