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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1732104
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Al', 'Cr', 'O']
  • Chemical System: Al-Cr-O
  • Density: 2.4624148160228643
  • Atomic Density: 0.0622303922634214
  • Unit Cell Volume: 289.24773483358354
  • Molar Volume: 9.677169853772197
  • Full Formula: Al3 Cr3 O12
  • Reduced Formula: AlCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 181
  • Spacegroup Symbol: P6_422
  • Crystal System: hexagonal
  • Pointgroup: 622