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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1036528
  • Created at: Sept. 4, 2022, 3:30 p.m.
  • Last updated at: Sept. 4, 2022, 3:30 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['F', 'O', 'Y']
  • Chemical System: F-O-Y
  • Density: 5.280731861809759
  • Atomic Density: 0.07699848174926555
  • Unit Cell Volume: 623.3889150737424
  • Molar Volume: 7.821116239162006
  • Full Formula: Y16 O16 F16
  • Reduced Formula: YOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm