• Formula : Y6PtI10
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.5497
    b = 9.5704
    c = 7.6047
    α = 97.106
    β = 105.148
    γ = 107.616
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 146
  • Band gap = 0.5657 eV
    Direct Gap = 0.624 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 424468

Band structure with spin-orbit coupling