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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-1981
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Zr', 'Cl']
  • Chemical System: Cl-Zr
  • Density: 4.139210067561723
  • Atomic Density: 0.0461239234022328
  • Unit Cell Volume: 65.04216854749988
  • Molar Volume: 13.056436477622968
  • Full Formula: Zr1 Cl2
  • Reduced Formula: ZrCl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m