• Formula : Ba6Ga5N
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.905
    b = 7.905
    c = 41.965
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 260
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.093
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 77731

Band structure with spin-orbit coupling