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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-692342
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ac', 'Al', 'O']
  • Chemical System: Ac-Al-O
  • Density: 8.52954326910544
  • Atomic Density: 0.07862693569721352
  • Unit Cell Volume: 114.4645905400451
  • Molar Volume: 7.6591319585324
  • Full Formula: Ac2 Al2 O5
  • Reduced Formula: Ac2Al2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm