• Formula : GePb3O5
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.26
    b = 10.437
    c = 5.477
    α = 90.0
    β = 92.55
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 152
  • Band gap = 2.1034 eV
    Direct Gap = 2.107 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die kristallstruktur der ferroischen verbindung Pb3[O|GeO4],
    Zeitschrift fur Kristallographie 149, 227 (1979)

Band structure with spin-orbit coupling