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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-80575
  • 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: ['Tl', 'Hg', 'Te']
  • Chemical System: Hg-Te-Tl
  • Density: 9.42587791982334
  • Atomic Density: 0.03080993569464935
  • Unit Cell Volume: 129.82824890136547
  • Molar Volume: 19.546099737708456
  • Full Formula: Tl2 Hg1 Te1
  • Reduced Formula: Tl2HgTe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm