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-20595
  • Created at: Sept. 4, 2022, 2:59 p.m.
  • Last updated at: Sept. 4, 2022, 2:59 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Be', 'H', 'Li']
  • Chemical System: Be-H-Li
  • Density: 0.7698398592899063
  • Atomic Density: 0.12215006345324043
  • Unit Cell Volume: 81.86651498407156
  • Molar Volume: 4.930116767647281
  • Full Formula: Li2 Be2 H6
  • Reduced Formula: LiBeH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2