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-16401
  • 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: 12
  • Number of elements: 3
  • Element list: ['B', 'H', 'Li']
  • Chemical System: B-H-Li
  • Density: 0.7882478482446144
  • Atomic Density: 0.13074711154189986
  • Unit Cell Volume: 91.78023023594231
  • Molar Volume: 4.605945545550439
  • Full Formula: Li2 B2 H8
  • Reduced Formula: LiBH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm