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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90532
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 4.75792835619404
  • Atomic Density: 0.09462361338789388
  • Unit Cell Volume: 95.11367910994886
  • Molar Volume: 6.364310708906483
  • Full Formula: Fe3 O3 F3
  • Reduced Formula: FeOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3