• Formula : Li4SiO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.519
    b = 5.648
    c = 5.031
    α = 124.15
    β = 97.18
    γ = 100.26
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 80
  • Band gap = 4.9579 eV
    Direct Gap = 5.193 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Einkristall-Synthese hochschmelzender Oxyde bei niederer Temperatur: gamma-(Li4 (Si O4)) - ohne Fehlordnung, isotyp mit Na4 (Sn O4). (Was heisst 'Isotypie'?),
    Zeitschrift fuer Anorganische und Allgemeine Chemie 629, 1285 (2003)

Band structure with spin-orbit coupling