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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112489
  • 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: 3
  • Element list: ['Te', 'Ir', 'Cl']
  • Chemical System: Cl-Ir-Te
  • Density: 5.923583541713803
  • Atomic Density: 0.03352138547021129
  • Unit Cell Volume: 596.6340507546432
  • Molar Volume: 17.96507117926723
  • Full Formula: Te12 Ir2 Cl6
  • Reduced Formula: Te6IrCl3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m