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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20255
  • 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: 60
  • Number of elements: 4
  • Element list: ['B', 'H', 'Li', 'N']
  • Chemical System: B-H-Li-N
  • Density: 0.8622889113054556
  • Atomic Density: 0.11604768465484516
  • Unit Cell Volume: 517.0288418804305
  • Molar Volume: 5.1893674379728925
  • Full Formula: Li12 B6 H36 N6
  • Reduced Formula: Li2BH6N
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3