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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-88373
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'B']
  • Chemical System: Al-B-Li
  • Density: 2.4975082693946176
  • Atomic Density: 0.1298845193581872
  • Unit Cell Volume: 246.37270213667614
  • Molar Volume: 4.636534661526927
  • Full Formula: Li2 Al2 B28
  • Reduced Formula: LiAlB14
  • Formula Anonymous: ABC14
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm