• Formula : Sc4OsCl4
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.311
    b = 11.301
    c = 6.136
    α = 90.0
    β = 90.438
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 176
  • Band gap = 0.5396 eV
    Direct Gap = 0.584 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 421532

Band structure with spin-orbit coupling