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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42176
  • 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: 18
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'F']
  • Chemical System: F-Fe-O
  • Density: 5.426412573509714
  • Atomic Density: 0.11097105333064355
  • Unit Cell Volume: 162.204461972332
  • Molar Volume: 5.4267672327636145
  • Full Formula: Fe6 O11 F1
  • Reduced Formula: Fe6O11F
  • Formula Anonymous: AB6C11
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m