• Formula : SrNiSn3
  • Space Group : I4mm (107)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.74
    b = 4.74
    c = 10.88
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 62
  • Band gap = 0.0 eV
    Direct Gap = 0.020 eV
    Metallicity = 0.358
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Struktur des Ba Pt Sn3, Ba Ni Sn3 und Sr Ni Sn3 und ihre Verwandschaft zum Th Cr2 Si2-Strukturtyp,
    Journal of the Less-Common Metals 58, 209 (1978)

Band structure with spin-orbit coupling

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