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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1016757
  • Created at: Sept. 4, 2022, 3:27 p.m.
  • Last updated at: Sept. 4, 2022, 3:27 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ac', 'F', 'O']
  • Chemical System: Ac-F-O
  • Density: 8.42821170138382
  • Atomic Density: 0.058117903988233834
  • Unit Cell Volume: 103.238409995218
  • Molar Volume: 10.361937280496564
  • Full Formula: Ac2 O2 F2
  • Reduced Formula: AcOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m