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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1710147
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['B', 'Ni', 'O']
  • Chemical System: B-Ni-O
  • Density: 4.523972343101032
  • Atomic Density: 0.11592934221845462
  • Unit Cell Volume: 86.2594387981278
  • Molar Volume: 5.194664823209309
  • Full Formula: Ni2 B2 O6
  • Reduced Formula: NiBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m