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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32777
  • 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: 22
  • Number of elements: 4
  • Element list: ['Tl', 'Ni', 'C', 'N']
  • Chemical System: C-N-Ni-Tl
  • Density: 4.746898275879738
  • Atomic Density: 0.05501926507514356
  • Unit Cell Volume: 399.8599394221842
  • Molar Volume: 10.945512906752121
  • Full Formula: Tl4 Ni2 C8 N8
  • Reduced Formula: Tl2Ni(CN)4
  • Formula Anonymous: AB2C4D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m