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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-122895
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'Zr']
  • Chemical System: Fe-O-Zr
  • Density: 5.188617361244482
  • Atomic Density: 0.08009184555371736
  • Unit Cell Volume: 499.4266235652183
  • Molar Volume: 7.5190435660031945
  • Full Formula: Zr8 Fe8 O24
  • Reduced Formula: ZrFeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm