• Formula : Li8TeN2
  • Space Group : I4_1md (109)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.217
    b = 7.217
    c = 10.284
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 80
  • Band gap = 2.2789 eV
    Direct Gap = 2.280 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 247257

Band structure with spin-orbit coupling