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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1724546
  • Created at: Sept. 4, 2022, 4:01 p.m.
  • Last updated at: Sept. 4, 2022, 4:01 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Cl', 'Zn', 'Zr']
  • Chemical System: Cl-Zn-Zr
  • Density: 2.5718725036643404
  • Atomic Density: 0.03354679584285443
  • Unit Cell Volume: 238.47284961207478
  • Molar Volume: 17.951463347527824
  • Full Formula: Zr1 Zn1 Cl6
  • Reduced Formula: ZrZnCl6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m