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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34878
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['K', 'Zr', 'Cl']
  • Chemical System: Cl-K-Zr
  • Density: 3.373573303041882
  • Atomic Density: 0.04048476411477144
  • Unit Cell Volume: 666.917557515141
  • Molar Volume: 14.875079283968795
  • Full Formula: K2 Zr7 Cl18
  • Reduced Formula: K2Zr7Cl18
  • Formula Anonymous: A2B7C18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3