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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29327
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ti', 'Tl', 'Se']
  • Chemical System: Se-Ti-Tl
  • Density: 6.963096137648485
  • Atomic Density: 0.03194902321538017
  • Unit Cell Volume: 1126.795012082551
  • Molar Volume: 18.849217140075066
  • Full Formula: Ti4 Tl16 Se16
  • Reduced Formula: Ti(TlSe)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m