• Formula : K(OsO3)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.5668
    b = 6.4519
    c = 7.2356
    α = 65.377
    β = 70.572
    γ = 75.613
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 154
  • Band gap = 0.0 eV
    Direct Gap = 0.089 eV
    Metallicity = 0.241
    Topological Z2 indices ν = (1;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 419880

Band structure with spin-orbit coupling