• Formula : SiNi2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.836
    b = 3.836
    c = 4.948
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 48
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.711
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Einige strukturelle Untersuchungen in der Mischung Ni Sin,
    Journal of the Less-Common Metals 66, 163 (1979)

Band structure with spin-orbit coupling