• Formula : K3GeH2NO3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.39
    b = 6.684
    c = 7.206
    α = 96.47
    β = 101.66
    γ = 91.66
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 3.4275 eV
    Direct Gap = 3.479 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 79078

Band structure with spin-orbit coupling