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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20594
  • Created at: Sept. 4, 2022, 3:02 p.m.
  • Last updated at: Sept. 4, 2022, 3:02 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Be', 'H', 'Li']
  • Chemical System: Be-H-Li
  • Density: 0.8381550713112116
  • Atomic Density: 0.13298960025108966
  • Unit Cell Volume: 225.5815488080181
  • Molar Volume: 4.5282794659356504
  • Full Formula: Li6 Be6 H18
  • Reduced Formula: LiBeH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm