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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29580
  • 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: 8
  • Number of elements: 2
  • Element list: ['Zr', 'Cl']
  • Chemical System: Cl-Zr
  • Density: 3.3394655498209755
  • Atomic Density: 0.04071348569693252
  • Unit Cell Volume: 196.49508911006225
  • Molar Volume: 14.791513565869225
  • Full Formula: Zr2 Cl6
  • Reduced Formula: ZrCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m