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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111621
  • 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: 20
  • Number of elements: 3
  • Element list: ['Tl', 'Hg', 'Cl']
  • Chemical System: Cl-Hg-Tl
  • Density: 6.079019661947355
  • Atomic Density: 0.03579737882753131
  • Unit Cell Volume: 558.70012428447
  • Molar Volume: 16.822853955352862
  • Full Formula: Tl4 Hg4 Cl12
  • Reduced Formula: TlHgCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm