• Formula : NbAs2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.368
    b = 3.396
    c = 7.799
    α = 90.0
    β = 119.42
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 46
  • Band gap = 0.0 eV
    Direct Gap = 0.026 eV
    Metallicity = 0.083
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    NbAs~2~,
    Acta Crystallographica Section C 51, 2205 (1995)

Band structure with spin-orbit coupling