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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37958
  • 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: 28
  • Number of elements: 3
  • Element list: ['Al', 'H', 'O']
  • Chemical System: Al-H-O
  • Density: 2.731149669931186
  • Atomic Density: 0.1475978485454111
  • Unit Cell Volume: 189.70466220166685
  • Molar Volume: 4.080100637881032
  • Full Formula: Al4 H12 O12
  • Reduced Formula: Al(HO)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222