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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102910
  • 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: 5
  • Number of elements: 3
  • Element list: ['N', 'Cl', 'O']
  • Chemical System: Cl-N-O
  • Density: 1.8616297064164737
  • Atomic Density: 0.05751712349081892
  • Unit Cell Volume: 86.93063381026204
  • Molar Volume: 10.470170263228262
  • Full Formula: N1 Cl1 O3
  • Reduced Formula: NClO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m