• Formula : Sr2NiN2
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.81
    b = 3.89
    c = 14.01
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.269
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    An unusual metallic nitride: Sr2 Ni N2,
    Journal of Solid State Chemistry 154, 542 (2000)

Band structure with spin-orbit coupling