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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-354373
  • Created at: Sept. 4, 2022, 2:57 p.m.
  • Last updated at: Sept. 4, 2022, 2:57 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['O', 'Zn', 'Zr']
  • Chemical System: O-Zn-Zr
  • Density: 6.290056654462332
  • Atomic Density: 0.09255579446007557
  • Unit Cell Volume: 54.02146920317103
  • Molar Volume: 6.5064978320700195
  • Full Formula: Zr1 Zn1 O3
  • Reduced Formula: ZrZnO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m