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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5516
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 160
  • Number of elements: 2
  • Element list: ['B', 'H']
  • Chemical System: B-H
  • Density: 1.0639810086062866
  • Atomic Density: 0.12999046901275968
  • Unit Cell Volume: 1230.859471583987
  • Molar Volume: 4.632755621036244
  • Full Formula: B64 H96
  • Reduced Formula: B2H3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm