• Formula : LiBPt3
  • Space Group : P-62m (189)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 9.236
    b = 9.236
    c = 2.768
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.810
    Topological Z2 indices ν = ?
  • 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