• Formula : SrNiO2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 3.581
    b = 16.362
    c = 3.915
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.026 eV
    Metallicity = 0.485
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Praeparation von Sr Ni O2-Einkristallen mit eben koordiniertem Nickel,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 426, 184 (1976)

Band structure with spin-orbit coupling