• Formula : Ba7Al10
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.0423
    b = 6.0423
    c = 48.79
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.042 eV
    Metallicity = 0.127
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 420092

Band structure with spin-orbit coupling