• Formula : Nb6Fe7
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.314
    b = 9.314
    c = 9.314
    α = 30.309
    β = 30.309
    γ = 30.309
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 134
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.486
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 188281

Band structure with spin-orbit coupling