• Formula : Na2ZnH4(SeO5)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.93
    b = 7.178
    c = 5.571
    α = 99.2
    β = 106.81
    γ = 108.17
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 106
  • Band gap = 3.678 eV
    Direct Gap = 3.780 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 98685

Band structure with spin-orbit coupling