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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120438
  • 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: 18
  • Number of elements: 3
  • Element list: ['Zn', 'H', 'C']
  • Chemical System: C-H-Zn
  • Density: 1.8183530059146842
  • Atomic Density: 0.10322101271763016
  • Unit Cell Volume: 174.38309822865745
  • Molar Volume: 5.834219798321566
  • Full Formula: Zn2 H12 C4
  • Reduced Formula: Zn(H3C)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m