• Formula : Y6OsI10
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.518
    b = 9.617
    c = 7.6268
    α = 97.17
    β = 105.13
    γ = 107.72
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 152
  • Band gap = 0.0635 eV
    Direct Gap = 0.098 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74649

Band structure with spin-orbit coupling