• Formula : Ca2PbAu2
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.038
    b = 8.038
    c = 3.8254
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 0.021 eV
    Metallicity = 0.638
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of calcium gold plumbide (2/2/1), Ca~2~Au~2~Pb,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 216, 23 (2001)

Band structure with spin-orbit coupling