• Formula : Nb5Si3
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.57
    b = 6.57
    c = 11.884
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 154
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.607
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Der Aufbau der Silizide M5 Si3,
    Monatshefte fuer Chemie (-108,1977) 86, 859 (1955)

Band structure with spin-orbit coupling