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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-691906
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Ba', 'O', 'Th']
  • Chemical System: Ba-O-Th
  • Density: 7.354492422600537
  • Atomic Density: 0.050893835974054245
  • Unit Cell Volume: 373.32615308632325
  • Molar Volume: 11.83275075407972
  • Full Formula: Ba4 Th4 O11
  • Reduced Formula: Ba4Th4O11
  • Formula Anonymous: A4B4C11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1