• Formula : Y2Pd2Pb
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.7262
    b = 7.7262
    c = 3.6779
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 144
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.632
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of R2 Pd2 Pb (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm and Lu) compounds,
    Journal of Alloys Compd. 370, 217 (2004)

Band structure with spin-orbit coupling