• Formula : Nb3Ga2
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.922
    b = 6.922
    c = 3.5
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 130
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.851
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Phasen Nb3 Ga2, Ta5 Ga3 und Ta5 Al3Bx,
    Monatshefte fuer Chemie (-108,1977) 95, 552 (1964)

Band structure with spin-orbit coupling