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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97892
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Tl', 'Se']
  • Chemical System: Se-Tl
  • Density: 8.87607976615886
  • Atomic Density: 0.033970861385311295
  • Unit Cell Volume: 941.98376770736
  • Molar Volume: 17.727371383652702
  • Full Formula: Tl20 Se12
  • Reduced Formula: Tl5Se3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm