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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1280841
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['B', 'H', 'Li']
  • Chemical System: B-H-Li
  • Density: 2.0432344177676645
  • Atomic Density: 0.16644239613249687
  • Unit Cell Volume: 96.12935388927687
  • Molar Volume: 3.6181531268067424
  • Full Formula: Li4 B8 H4
  • Reduced Formula: LiB2H
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm