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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-26295
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Br', 'Nb', 'O']
  • Chemical System: Br-Nb-O
  • Density: 4.720460502069215
  • Atomic Density: 0.042316069693641975
  • Unit Cell Volume: 189.0534744346072
  • Molar Volume: 14.231332927653325
  • Full Formula: Nb2 Br4 O2
  • Reduced Formula: NbBr2O
  • Formula Anonymous: ABC2
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2