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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1016698
  • 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: 12
  • Number of elements: 3
  • Element list: ['F', 'O', 'Pr']
  • Chemical System: F-O-Pr
  • Density: 6.525556831374616
  • Atomic Density: 0.0670209269944873
  • Unit Cell Volume: 179.04855301370333
  • Molar Volume: 8.985463242690363
  • Full Formula: Pr4 O4 F4
  • Reduced Formula: PrOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm