• Formula : Sc3B2Rh5
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.419
    b = 9.419
    c = 3.085
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 248
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.496
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternary rhodium borides A3 Rh5 B2 (A = Mg, Sc) and quaternary derivates A2 M Rh5 B2. Preparation, crystal structure (M = main group and 3 d elements), and magnetism (M = Mn, Fe),
    Zeitschrift fuer Anorganische und Allgemeine Chemie 627, 523 (2001)

Band structure with spin-orbit coupling