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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12900
  • 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: 16
  • Number of elements: 2
  • Element list: ['Tl', 'I']
  • Chemical System: I-Tl
  • Density: 6.037096074442005
  • Atomic Density: 0.02485486021925991
  • Unit Cell Volume: 643.7372754806997
  • Molar Volume: 24.22922803377294
  • Full Formula: Tl4 I12
  • Reduced Formula: TlI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm