• Formula : NiAsRh
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.5498
    b = 3.5498
    c = 6.1573
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.328
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic,
    The Canadian Mineralogist 50, 1321 (2012)

Band structure with spin-orbit coupling