• Formula : Ca7Ni4Sn13
  • Space Group : P4/m (83)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.2
    b = 11.2
    c = 4.594
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 292
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.911
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, structure, and properies of a new intermetallic compound, Ca7 Ni4 Sn13,
    Journal of the Less-Common Metals 175, 339 (1991)

Band structure with spin-orbit coupling