• Formula : H6Pt(NO)4
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.4235
    b = 9.13
    c = 4.4847
    α = 90.0
    β = 99.405
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 60
  • Band gap = 2.1195 eV
    Direct Gap = 2.120 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 420292

Band structure with spin-orbit coupling