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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1741081
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['F', 'Hg', 'Ti']
  • Chemical System: F-Hg-Ti
  • Density: 8.740503159574013
  • Atomic Density: 0.06892961021948793
  • Unit Cell Volume: 145.07553384035788
  • Molar Volume: 8.736652856187785
  • Full Formula: Ti1 Hg3 F6
  • Reduced Formula: TiHg3F6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m