• Formula : NbSb2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.239
    b = 3.6319
    c = 8.333
    α = 90.0
    β = 120.07
    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 = 0.030 eV
    Metallicity = 0.174
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of Nb As2 and Nb Sb2,
    Acta Crystallographica (1,1948-23,1967) 18, 320 (1965)

Band structure with spin-orbit coupling