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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29531
  • 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: 16
  • Number of elements: 2
  • Element list: ['Ti', 'Cl']
  • Chemical System: Cl-Ti
  • Density: 2.8127555625160157
  • Atomic Density: 0.04393243662365131
  • Unit Cell Volume: 364.1955973683986
  • Molar Volume: 13.707732197029888
  • Full Formula: Ti4 Cl12
  • Reduced Formula: TiCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m