• Formula : Sc2Pt
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.592
    b = 4.491
    c = 8.206
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 128
  • Band gap = 0.0 eV
    Direct Gap = 0.015 eV
    Metallicity = 0.299
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sc2 Pt with orthorhombic Ni2 Si structure type,
    Acta Crystallographica B (24,1968-38,1982) 35, 1745 (1979)

Band structure with spin-orbit coupling