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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118028
  • 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: 3
  • Number of elements: 3
  • Element list: ['H', 'N', 'Cl']
  • Chemical System: Cl-H-N
  • Density: 1.1616961911014112
  • Atomic Density: 0.04158643827363152
  • Unit Cell Volume: 72.13890211661126
  • Molar Volume: 14.481020760603165
  • Full Formula: H1 N1 Cl1
  • Reduced Formula: HNCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m