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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32852
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ti', 'N', 'Cl']
  • Chemical System: Cl-N-Ti
  • Density: 2.342744655056221
  • Atomic Density: 0.05032373462531599
  • Unit Cell Volume: 278.1987486468686
  • Molar Volume: 11.966800168623585
  • Full Formula: Ti2 N6 Cl6
  • Reduced Formula: Ti(NCl)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1