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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25889
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['N', 'Cl', 'O', 'F']
  • Chemical System: Cl-F-N-O
  • Density: 2.373144695049046
  • Atomic Density: 0.07072319635046267
  • Unit Cell Volume: 197.95485388731885
  • Molar Volume: 8.515085673104766
  • Full Formula: N2 Cl2 O2 F8
  • Reduced Formula: NClOF4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm