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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-321985
  • Created at: Sept. 4, 2022, 2:50 p.m.
  • Last updated at: Sept. 4, 2022, 2:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ba', 'Co']
  • Chemical System: Ba-Co
  • Density: 0.12343309188933951
  • Atomic Density: 0.0006313943915464229
  • Unit Cell Volume: 12670.369118113722
  • Molar Volume: 953.7843288804738
  • Full Formula: Ba6 Co2
  • Reduced Formula: Ba3Co
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm