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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-38544
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'H']
  • Chemical System: Al-H-Li
  • Density: 1.1575193629591785
  • Atomic Density: 0.11019691780431917
  • Unit Cell Volume: 108.89596768313297
  • Molar Volume: 5.464890379868649
  • Full Formula: Li2 Al2 H8
  • Reduced Formula: LiAlH4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m