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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120108
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zn', 'Cl', 'O']
  • Chemical System: Cl-O-Zn
  • Density: 3.7670191269440534
  • Atomic Density: 0.0582369869843482
  • Unit Cell Volume: 103.02730808536786
  • Molar Volume: 10.340749190232858
  • Full Formula: Zn2 Cl2 O2
  • Reduced Formula: ZnClO
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm