• Formula : Bi4Pb7Se13
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.991
    b = 4.2619
    c = 23.432
    α = 90.0
    β = 98.31
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 236
  • Band gap = 0.0 eV
    Direct Gap = 0.056 eV
    Metallicity = 0.089
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Pb7Bi4Se13: A Lillianite Homologue with Promising Thermoelectric Properties.,
    Inorganic chemistry 54, 746 (2015)

Band structure with spin-orbit coupling