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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1021346
  • Created at: Sept. 4, 2022, 3:29 p.m.
  • Last updated at: Sept. 4, 2022, 3:29 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['F', 'O', 'Th']
  • Chemical System: F-O-Th
  • Density: 8.537048417891105
  • Atomic Density: 0.07189531228170667
  • Unit Cell Volume: 222.54580294897897
  • Molar Volume: 8.37626344316234
  • Full Formula: Th4 O4 F8
  • Reduced Formula: ThOF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2