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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-62041
  • 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: 24
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'H']
  • Chemical System: Al-H-Li
  • Density: 0.9283505121978224
  • Atomic Density: 0.08837983048916724
  • Unit Cell Volume: 271.5551712100386
  • Molar Volume: 6.8139311047198
  • Full Formula: Li4 Al4 H16
  • Reduced Formula: LiAlH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m