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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96939
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['C', 'S', 'O', 'F']
  • Chemical System: C-F-O-S
  • Density: 2.3440147273431795
  • Atomic Density: 0.07919101563081155
  • Unit Cell Volume: 555.6185843748736
  • Molar Volume: 7.604575736312331
  • Full Formula: C8 S4 O16 F16
  • Reduced Formula: C2S(OF)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m