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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1749138
  • 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: ['Ba', 'Nb', 'O']
  • Chemical System: Ba-Nb-O
  • Density: 6.045144410650498
  • Atomic Density: 0.06542160053874048
  • Unit Cell Volume: 152.85471339207507
  • Molar Volume: 9.205125998765332
  • Full Formula: Ba2 Nb2 O6
  • Reduced Formula: BaNbO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm