• Formula : Nb5GaSn2
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.586
    b = 10.586
    c = 5.177
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 212
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.541
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of Nb5 Sn2 Ga,
    Acta Crystallographica C (39,1983-) 45, 349 (1989)

Band structure with spin-orbit coupling