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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-43815
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 4.452273985725099
  • Atomic Density: 0.09352291941336596
  • Unit Cell Volume: 149.69592574544
  • Molar Volume: 6.439213828839626
  • Full Formula: Fe4 O4 F6
  • Reduced Formula: Fe2O2F3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m