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-24059
  • Created at: Sept. 4, 2022, 2:53 p.m.
  • Last updated at: Sept. 4, 2022, 2:53 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 132
  • Number of elements: 3
  • Element list: ['B', 'H', 'Mg']
  • Chemical System: B-H-Mg
  • Density: 0.5876082870259586
  • Atomic Density: 0.07209646803141104
  • Unit Cell Volume: 1830.8802581353937
  • Molar Volume: 8.352892900906422
  • Full Formula: Mg12 B24 H96
  • Reduced Formula: Mg(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m