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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-46638
  • Created at: Sept. 4, 2022, 3:27 p.m.
  • Last updated at: Sept. 4, 2022, 3:27 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Be', 'H', 'Li']
  • Chemical System: Be-H-Li
  • Density: 0.8177408452232167
  • Atomic Density: 0.12802468837622033
  • Unit Cell Volume: 328.06172413071226
  • Molar Volume: 4.703890192103424
  • Full Formula: Li12 Be6 H24
  • Reduced Formula: Li2BeH4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1