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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1021406
  • Created at: Sept. 4, 2022, 3:28 p.m.
  • Last updated at: Sept. 4, 2022, 3:28 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['F', 'O', 'Th']
  • Chemical System: F-O-Th
  • Density: 7.9142530518763134
  • Atomic Density: 0.06665040032438473
  • Unit Cell Volume: 720.1757193713165
  • Molar Volume: 9.035415737475681
  • Full Formula: Th12 O12 F24
  • Reduced Formula: ThOF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm