• Formula : HCO2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.119
    b = 6.604
    c = 12.051
    α = 90.0
    β = 106.2
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.058
    Topological Z2 indices ν = (1;010)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A refinement of the crystal structure analyses of oxalic acid dihydrate,
    Acta Cryst. 6, 385 (1953)

Band structure with spin-orbit coupling