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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29380
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Y', 'Cl', 'O']
  • Chemical System: Cl-O-Y
  • Density: 4.003119519715759
  • Atomic Density: 0.05152675222545781
  • Unit Cell Volume: 116.44436609834652
  • Molar Volume: 11.687406055886912
  • Full Formula: Y2 Cl2 O2
  • Reduced Formula: YClO
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m