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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-7066
  • Created at: Sept. 4, 2022, 3:04 p.m.
  • Last updated at: Sept. 4, 2022, 3:04 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Ba', 'F', 'Sb']
  • Chemical System: Ba-F-Sb
  • Density: 5.409264125018157
  • Atomic Density: 0.0802575406187313
  • Unit Cell Volume: 186.8983261181461
  • Molar Volume: 7.503520184612402
  • Full Formula: Ba1 Sb2 F12
  • Reduced Formula: BaSb2F12
  • Formula Anonymous: AB2C12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1