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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-649778
  • Created at: Sept. 4, 2022, 3:30 p.m.
  • Last updated at: Sept. 4, 2022, 3:30 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['B', 'Ba', 'Se']
  • Chemical System: B-Ba-Se
  • Density: 4.649521145518652
  • Atomic Density: 0.0330870210850479
  • Unit Cell Volume: 1450.719902423954
  • Molar Volume: 18.20091553277191
  • Full Formula: Ba14 B8 Se26
  • Reduced Formula: Ba7B4Se13
  • Formula Anonymous: A4B7C13
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m