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-20593
  • Created at: Sept. 4, 2022, 3 p.m.
  • Last updated at: Sept. 4, 2022, 3 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Be', 'H', 'Li']
  • Chemical System: Be-H-Li
  • Density: 0.8868214220964614
  • Atomic Density: 0.14071146313558514
  • Unit Cell Volume: 142.13483076875286
  • Molar Volume: 4.279779788941044
  • Full Formula: Li4 Be4 H12
  • Reduced Formula: LiBeH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m