• Formula : Na2Ni3P2(HO5)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 14.259
    b = 5.6953
    c = 4.9331
    α = 90.0
    β = 104.28
    γ = 90.0
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 120
  • Band gap = 0.0 eV
    Direct Gap = 0.016 eV
    Metallicity = 0.199
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 425698

Band structure with spin-orbit coupling