• Formula : NbGa3
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.79
    b = 3.79
    c = 8.74
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 52
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.153
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zum Aufbau einiger zu T(5)-Ga homologer und quasihomologer Systeme. I. Die System V-Ga, Nb-Ga und Tl-Ga und die Struktur von Ti6 Sn5(h),
    Zeitschrift fuer Metallkunde 56, 475 (1965)

Band structure with spin-orbit coupling