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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-23882
  • 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: 5
  • Element list: ['Al', 'B', 'H', 'Li', 'N']
  • Chemical System: Al-B-H-Li-N
  • Density: 1.0121062869132296
  • Atomic Density: 0.14588131747177213
  • Unit Cell Volume: 712.9082860121816
  • Molar Volume: 4.1281096608997085
  • Full Formula: Li4 Al2 B10 H76 N12
  • Reduced Formula: Li2AlB5(H19N3)2
  • Formula Anonymous: AB2C5D6E38
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1