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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20152
  • 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: 64
  • Number of elements: 3
  • Element list: ['Al', 'B', 'H']
  • Chemical System: Al-B-H
  • Density: 0.8732024901205175
  • Atomic Density: 0.11765765120943564
  • Unit Cell Volume: 543.9510252170279
  • Molar Volume: 5.11835881313008
  • Full Formula: Al4 B12 H48
  • Reduced Formula: Al(BH4)3
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m