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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-23587
  • 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: 104
  • Number of elements: 3
  • Element list: ['B', 'H', 'Li']
  • Chemical System: B-H-Li
  • Density: 1.2762642415780903
  • Atomic Density: 0.12833654854883608
  • Unit Cell Volume: 810.3693076990046
  • Molar Volume: 4.692459652449189
  • Full Formula: Li8 B48 H48
  • Reduced Formula: Li(BH)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3