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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52295
  • 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: 12
  • Number of elements: 3
  • Element list: ['Bi', 'O', 'F']
  • Chemical System: Bi-F-O
  • Density: 9.095433510991576
  • Atomic Density: 0.06735107502669854
  • Unit Cell Volume: 178.17087544991819
  • Molar Volume: 8.941417427431965
  • Full Formula: Bi4 O4 F4
  • Reduced Formula: BiOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm