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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26910
  • 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: 12
  • Number of elements: 3
  • Element list: ['N', 'Cl', 'O']
  • Chemical System: Cl-N-O
  • Density: 1.9988231825687086
  • Atomic Density: 0.05516663640627385
  • Unit Cell Volume: 217.52277792733605
  • Molar Volume: 10.916273226538657
  • Full Formula: N4 Cl4 O4
  • Reduced Formula: NClO
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm