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-24092
  • Created at: Sept. 4, 2022, 2:54 p.m.
  • Last updated at: Sept. 4, 2022, 2:54 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['B', 'H', 'Li', 'Mg', 'N']
  • Chemical System: B-H-Li-Mg-N
  • Density: 0.9186118076140231
  • Atomic Density: 0.12591599885996213
  • Unit Cell Volume: 397.09012716968283
  • Molar Volume: 4.782665280444261
  • Full Formula: Li2 Mg2 B6 H36 N4
  • Reduced Formula: LiMgB3(H9N)2
  • Formula Anonymous: ABC2D3E18
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6