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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12124
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-O-Zn
  • Density: 3.594829621979597
  • Atomic Density: 0.09083378756801681
  • Unit Cell Volume: 198.1641466455586
  • Molar Volume: 6.629846581582421
  • Full Formula: Zn1 Cu3 H6 Cl2 O6
  • Reduced Formula: ZnCu3H6(ClO3)2
  • Formula Anonymous: AB2C3D6E6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1