• Formula : NaBPt3
  • Space Group : P6/mmm (191)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.547
    b = 5.547
    c = 5.504
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.039 eV
    Metallicity = 0.685
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The ternary alkali metal platinum borides Li Pt3 B, Na Pt3 B(1+x) and Na3 Pt9 B5 -new structure variants of the Ce Co3 B2 type,
    Journal of the Less-Common Metals 144, 87 (1988)

Band structure with spin-orbit coupling