Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: oqmd-19166
  • 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: 6
  • Element list: ['B', 'C', 'H', 'Li', 'N', 'O']
  • Chemical System: B-C-H-Li-N-O
  • Density: 1.3696859975122146
  • Atomic Density: 0.13842392107288884
  • Unit Cell Volume: 751.3152292892895
  • Molar Volume: 4.350505832607477
  • Full Formula: Li4 B4 H60 C20 N4 O12
  • Reduced Formula: LiBH15C5NO3
  • Formula Anonymous: ABCD3E5F15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m