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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1753041
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['B', 'H', 'Li']
  • Chemical System: B-H-Li
  • Density: 0.9397217627064386
  • Atomic Density: 0.150182867099446
  • Unit Cell Volume: 133.1709827243921
  • Molar Volume: 4.009872015569088
  • Full Formula: Li6 B2 H12
  • Reduced Formula: Li3BH6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3