• Formula : BaSn3
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.2279
    b = 7.2279
    c = 5.469
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.754
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure,
    Crystals 1, 104 (2012)

Band structure with spin-orbit coupling