• Formula : Te2Pd3Pb2
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.599
    b = 5.9381
    c = 6.3173
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 188
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.314
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Pasavaite, Pd3Pb2Te2, a new platinum-group mineral species from the Noril'sk-Talnakh Ni-Cu Camp, Russia Locality: synthetic,
    The Canadian Mineralogist 47, 53 (2009)

Band structure with spin-orbit coupling