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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105455
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'Tl', 'Hg']
  • Chemical System: Hg-Li-Tl
  • Density: 8.847544142573613
  • Atomic Density: 0.05088263772744872
  • Unit Cell Volume: 78.61227677357995
  • Molar Volume: 11.835354904864428
  • Full Formula: Li2 Tl1 Hg1
  • Reduced Formula: Li2TlHg
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm