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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121145
  • 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: 4
  • Number of elements: 2
  • Element list: ['Ti', 'I']
  • Chemical System: I-Ti
  • Density: 3.6959226379337564
  • Atomic Density: 0.020773106611568424
  • Unit Cell Volume: 192.55665870276826
  • Molar Volume: 28.990082574583734
  • Full Formula: Ti1 I3
  • Reduced Formula: TiI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m