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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33324
  • 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: 32
  • Number of elements: 6
  • Element list: ['As', 'H', 'C', 'N', 'O', 'F']
  • Chemical System: As-C-F-H-N-O
  • Density: 2.7199344686913665
  • Atomic Density: 0.09007705429906306
  • Unit Cell Volume: 355.2514039120044
  • Molar Volume: 6.685543623580329
  • Full Formula: As2 H6 C2 N2 O2 F18
  • Reduced Formula: AsH3CNOF9
  • Formula Anonymous: ABCDE3F9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1