• Formula : Li5(NiN)3
  • Space Group : P-62m (189)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.475
    b = 6.475
    c = 3.555
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.970
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 411152

Band structure with spin-orbit coupling