• Formula : Ca3(B3Rh4)2
  • Space Group : Fmmm (69)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.5
    b = 9.698
    c = 17.047
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 184
  • Band gap = 0.0 eV
    Direct Gap = 0.015 eV
    Metallicity = 0.685
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    AnRh3n-1B2n mit A= Ca und Sr, eine homologe Reihe ternaerer Erdalkali-Rhodiumboride aus Bauelementen der CeCo3B2-und der CaRh2B2-Struktur,
    Journal of the Less-Common Metals 97, 253 (1984)

Band structure with spin-orbit coupling