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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1719837
  • Created at: Sept. 4, 2022, 4:01 p.m.
  • Last updated at: Sept. 4, 2022, 4:01 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['O', 'Zn', 'Zr']
  • Chemical System: O-Zn-Zr
  • Density: 5.666637678629103
  • Atomic Density: 0.08338242102967942
  • Unit Cell Volume: 119.92935533067055
  • Molar Volume: 7.222314590573544
  • Full Formula: Zr2 Zn2 O6
  • Reduced Formula: ZrZnO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m