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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32826
  • 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: 18
  • Number of elements: 3
  • Element list: ['C', 'N', 'Cl']
  • Chemical System: C-Cl-N
  • Density: 2.035262246719774
  • Atomic Density: 0.059817257106652755
  • Unit Cell Volume: 300.9165058823481
  • Molar Volume: 10.067564196838154
  • Full Formula: C6 N6 Cl6
  • Reduced Formula: CNCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m