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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97809
  • 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: 48
  • Number of elements: 4
  • Element list: ['Zn', 'B', 'Cl', 'O']
  • Chemical System: B-Cl-O-Zn
  • Density: 3.8097479302556887
  • Atomic Density: 0.10684563385314799
  • Unit Cell Volume: 449.24624684217525
  • Molar Volume: 5.636300279969344
  • Full Formula: Zn6 B14 Cl2 O26
  • Reduced Formula: Zn3B7ClO13
  • Formula Anonymous: AB3C7D13
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m