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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-44010
  • 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: 4.7941617526519735
  • Atomic Density: 0.09587171129210377
  • Unit Cell Volume: 187.75089916938327
  • Molar Volume: 6.281457458969962
  • Full Formula: Fe6 O7 F5
  • Reduced Formula: Fe6O7F5
  • Formula Anonymous: A5B6C7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1