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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20950
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['F', 'Li', 'Ta']
  • Chemical System: F-Li-Ta
  • Density: 5.763304242943698
  • Atomic Density: 0.09197697092230783
  • Unit Cell Volume: 86.97829380310353
  • Molar Volume: 6.547444104336565
  • Full Formula: Li1 Ta1 F6
  • Reduced Formula: LiTaF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3