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-683846
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['B', 'H', 'Li', 'O']
  • Chemical System: B-H-Li-O
  • Density: 1.9874368845445276
  • Atomic Density: 0.11798742095338757
  • Unit Cell Volume: 745.8422202038429
  • Molar Volume: 5.104053221384611
  • Full Formula: Li8 B16 H24 O40
  • Reduced Formula: LiB2H3O5
  • Formula Anonymous: AB2C3D5
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm