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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52352
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Bi', 'O', 'F']
  • Chemical System: Bi-F-O
  • Density: 8.149192719419208
  • Atomic Density: 0.05530132573130561
  • Unit Cell Volume: 289.32398615070696
  • Molar Volume: 10.889686061524051
  • Full Formula: Bi6 O8 F2
  • Reduced Formula: Bi3O4F
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm