• Formula : BPt
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.358
    b = 3.358
    c = 4.058
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 26
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.556
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Borides of Rhenium and the Platinum Metals. The Crystal Structures of Re7 B3, Re B3, Rh7 B3, Rh B1.1, Ir B1.1 and Pt B,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 14, 733 (1960)

Band structure with spin-orbit coupling