• Formula : NbCoSn
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.952
    b = 5.952
    c = 5.952
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.229
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure and magnetic properties of Me' Me'' Sn compounds (Me'= Ti, Zr, Hf, Nb; Me''= Co, Ni),
    Ukrains'kii Fizichnii Zhurnal (Ukrainian Edition) 31, 1258 (1986)

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes