• Formula : NaAlH2CO5
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.759
    b = 5.585
    c = 10.425
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 96
  • Band gap = 5.0073 eV
    Direct Gap = 5.163 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 100140

Band structure with spin-orbit coupling