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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-11305
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['F', 'Li', 'Na', 'Ti']
  • Chemical System: F-Li-Na-Ti
  • Density: 3.108187490257218
  • Atomic Density: 0.09053261957608202
  • Unit Cell Volume: 883.6593967411868
  • Molar Volume: 6.65190158884014
  • Full Formula: Na12 Li12 Ti8 F48
  • Reduced Formula: Na3Li3Ti2F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m