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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58909
  • 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: 22
  • Number of elements: 3
  • Element list: ['Zr', 'Co', 'Cl']
  • Chemical System: Cl-Co-Zr
  • Density: 3.5369073571891763
  • Atomic Density: 0.04117441664441492
  • Unit Cell Volume: 534.3123665841706
  • Molar Volume: 14.625928551720891
  • Full Formula: Zr6 Co1 Cl15
  • Reduced Formula: Zr6CoCl15
  • Formula Anonymous: AB6C15
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m