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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12903
  • 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: 12
  • Number of elements: 3
  • Element list: ['Tl', 'Au', 'Cl']
  • Chemical System: Au-Cl-Tl
  • Density: 5.405090194043836
  • Atomic Density: 0.03595636863118204
  • Unit Cell Volume: 333.7378177170365
  • Molar Volume: 16.74846762689346
  • Full Formula: Tl2 Au2 Cl8
  • Reduced Formula: TlAuCl4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m