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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-39875
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ir', 'Cl']
  • Chemical System: Cl-Ir
  • Density: 4.761548729936576
  • Atomic Density: 0.038415300221299305
  • Unit Cell Volume: 208.2503573814168
  • Molar Volume: 15.676412068389961
  • Full Formula: Ir2 Cl6
  • Reduced Formula: IrCl3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm