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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29597
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Ti', 'Cl']
  • Chemical System: Cl-Ti
  • Density: 2.7944437558346467
  • Atomic Density: 0.04364642446631539
  • Unit Cell Volume: 549.8732208527703
  • Molar Volume: 13.797558067208124
  • Full Formula: Ti6 Cl18
  • Reduced Formula: TiCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 151
  • Spacegroup Symbol: P3_112
  • Crystal System: trigonal
  • Pointgroup: 312