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-20153
  • 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: 64
  • Number of elements: 3
  • Element list: ['Al', 'B', 'H']
  • Chemical System: Al-B-H
  • Density: 0.8182487900939502
  • Atomic Density: 0.11025304191943988
  • Unit Cell Volume: 580.4828500492872
  • Molar Volume: 5.462108487129344
  • Full Formula: Al4 B12 H48
  • Reduced Formula: Al(BH4)3
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2