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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29555
  • 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: 24
  • Number of elements: 2
  • Element list: ['Ti', 'Cl']
  • Chemical System: Cl-Ti
  • Density: 2.844187997304792
  • Atomic Density: 0.04442337990634799
  • Unit Cell Volume: 540.2560554959138
  • Molar Volume: 13.556241719328186
  • Full Formula: Ti6 Cl18
  • Reduced Formula: TiCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 149
  • Spacegroup Symbol: P312
  • Crystal System: trigonal
  • Pointgroup: 312