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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-22254
  • Created at: Sept. 4, 2022, 3:15 p.m.
  • Last updated at: Sept. 4, 2022, 3:15 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Al', 'H', 'O']
  • Chemical System: Al-H-O
  • Density: 3.070644860862109
  • Atomic Density: 0.16594497917856324
  • Unit Cell Volume: 168.73062468416663
  • Molar Volume: 3.628998472752792
  • Full Formula: Al4 H12 O12
  • Reduced Formula: Al(HO)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm