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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-60621
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['F', 'H', 'O']
  • Chemical System: F-H-O
  • Density: 1.9539285936353636
  • Atomic Density: 0.15473869918745825
  • Unit Cell Volume: 129.25014947793372
  • Molar Volume: 3.8918129670357873
  • Full Formula: H12 O4 F4
  • Reduced Formula: H3OF
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm