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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5764
  • 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: 20
  • Number of elements: 2
  • Element list: ['Ti', 'Cl']
  • Chemical System: Cl-Ti
  • Density: 2.1813743567988597
  • Atomic Density: 0.03462835482957235
  • Unit Cell Volume: 577.5613683766505
  • Molar Volume: 17.39077928951201
  • Full Formula: Ti4 Cl16
  • Reduced Formula: TiCl4
  • Formula Anonymous: AB4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m