• Formula : SrSn3Pd
  • Space Group : I4mm (107)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.79
    b = 4.79
    c = 11.23
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 70
  • Band gap = 0.0 eV
    Direct Gap = 0.015 eV
    Metallicity = 0.376
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Kristallstruktur von Ba Pd Sn3, Sr Pd Sn3 und La3 Co2 Sn7,
    Journal of the Less-Common Metals 70, 1 (1980)

Band structure with spin-orbit coupling

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