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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5235
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Al', 'O', 'Y']
  • Chemical System: Al-O-Y
  • Density: 4.597095346996236
  • Atomic Density: 0.08446244576113845
  • Unit Cell Volume: 118.39581378308897
  • Molar Volume: 7.129962559965098
  • Full Formula: Y2 Al2 O6
  • Reduced Formula: YAlO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm