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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1540493
  • Created at: Sept. 4, 2022, 3:54 p.m.
  • Last updated at: Sept. 4, 2022, 3:54 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['B', 'Be', 'O']
  • Chemical System: B-Be-O
  • Density: 3.7144029320562706
  • Atomic Density: 0.16546301656615525
  • Unit Cell Volume: 84.61105261188402
  • Molar Volume: 3.639569062003794
  • Full Formula: Be2 B4 O8
  • Reduced Formula: Be(BO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m