• Formula : Zn2SiO5
  • Space Group : Imm2 (44)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.38
    b = 10.7
    c = 5.11
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 116
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.337
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Structure of Hemimorphite (H2 Zn2 Si O5) _cod_database_code 1011257,
    Zeitschrift fur Kristallographie 83, 1 (1932)

Band structure with spin-orbit coupling