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-21218
  • 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: 216
  • Number of elements: 4
  • Element list: ['B', 'H', 'Li', 'N']
  • Chemical System: B-H-Li-N
  • Density: 1.1344602818724987
  • Atomic Density: 0.1341908827925392
  • Unit Cell Volume: 1609.6473583375907
  • Molar Volume: 4.487742113829228
  • Full Formula: Li8 B48 H132 N28
  • Reduced Formula: Li2B12H33N7
  • Formula Anonymous: A2B7C12D33
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m