• Formula : CaGePt
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.169
    b = 4.409
    c = 7.438
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.054 eV
    Metallicity = 0.521
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternaere Phasen M Pt Ge (M= Ca, Eu, Sr, Ba) im LaIrSi- und im TiNiSi-Typ,
    Journal of the Less-Common Metals 182, 23 (1992)

Band structure with spin-orbit coupling