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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98431
  • 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: 50
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Zn
  • Density: 1.8599684374120609
  • Atomic Density: 0.08553564876713345
  • Unit Cell Volume: 584.551595979853
  • Molar Volume: 7.040503984946651
  • Full Formula: Zn2 H24 C4 N12 Cl8
  • Reduced Formula: ZnH12C2(N3Cl2)2
  • Formula Anonymous: AB2C4D6E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1