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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1759371
  • 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: 20
  • Number of elements: 3
  • Element list: ['O', 'Tm', 'Zr']
  • Chemical System: O-Tm-Zr
  • Density: 8.296523958843151
  • Atomic Density: 0.081067330574321
  • Unit Cell Volume: 246.70850585939024
  • Molar Volume: 7.428566744872665
  • Full Formula: Tm4 Zr4 O12
  • Reduced Formula: TmZrO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm