• Formula : Sn4BRh6
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.6001
    b = 5.6001
    c = 13.675
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 322
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.729
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Zinn-Rhodiumboride Sn Rh3 B1-x, Sn4 Rh6 B und Sn5 Rh6 B2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 622, 2099 (1996)

Band structure with spin-orbit coupling