• Formula : K2H4OsO6
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.5856
    b = 5.5856
    c = 9.417
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 74
  • Band gap = 0.2304 eV
    Direct Gap = 0.268 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Redetermination of the crystal structure of potassium trans-(dioxo) tetra(hydroxo)osmate(VI), K~2~[Os(OH)~4~(O)~2~],
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 217, 303 (2002)

Band structure with spin-orbit coupling