• Formula : Na2CdPb
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.39
    b = 7.39
    c = 7.39
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.323
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternaere Natriumphasen mit Cadmium bzw. Quecksilber und Zinn bzw. Blei,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35, 778 (1980)

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes