• Formula : Sr2Pb
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.445
    b = 5.391
    c = 10.139
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 136
  • Band gap = 0.0361 eV
    Direct Gap = 0.074 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    On the occurrence of M2 X intermetallic compounds (M= Ca, Sr, Ba; X= Si, Ge, Sn, Pb),
    Journal of the Less-Common Metals 57, 201 (1978)

Band structure with spin-orbit coupling