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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93797
  • 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: 6
  • Number of elements: 3
  • Element list: ['Cd', 'Cl', 'O']
  • Chemical System: Cd-Cl-O
  • Density: 4.742346950238027
  • Atomic Density: 0.05228577133812588
  • Unit Cell Volume: 114.75397314498262
  • Molar Volume: 11.517742984139087
  • Full Formula: Cd2 Cl2 O2
  • Reduced Formula: CdClO
  • Formula Anonymous: ABC
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm