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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30366
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 4.150814724995005
  • Atomic Density: 0.08687030732808206
  • Unit Cell Volume: 126.62554488792622
  • Molar Volume: 6.932335046607183
  • Full Formula: Fe3 O1 F7
  • Reduced Formula: Fe3OF7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m