• Formula : SnP3
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.3785
    b = 7.3785
    c = 10.5125
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 58
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.657
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Sn P3 and a note on the crystal structure of Ge P3,
    Journal of Solid State Chemistry 5, 441 (1972)

Band structure with spin-orbit coupling