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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-655611
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Ba', 'O', 'Si']
  • Chemical System: Ba-O-Si
  • Density: 4.284779786813286
  • Atomic Density: 0.023923541160942426
  • Unit Cell Volume: 2340.7905887873158
  • Molar Volume: 25.172447170286596
  • Full Formula: Ba42 Si4 O10
  • Reduced Formula: Ba21Si2O5
  • Formula Anonymous: A2B5C21
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m