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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-647336
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ba', 'F']
  • Chemical System: Ba-F
  • Density: 5.062267589157356
  • Atomic Density: 0.052164657994603035
  • Unit Cell Volume: 57.51020164476839
  • Molar Volume: 11.544484314692625
  • Full Formula: Ba1 F2
  • Reduced Formula: BaF2
  • Formula Anonymous: AB2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m