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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-44250
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 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: 4.465351065057879
  • Atomic Density: 0.08783835754617397
  • Unit Cell Volume: 204.92186446607843
  • Molar Volume: 6.855935070090925
  • Full Formula: Fe6 O4 F8
  • Reduced Formula: Fe3(OF2)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1