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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51323
  • 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: 4
  • Number of elements: 3
  • Element list: ['B', 'Ir', 'Cl']
  • Chemical System: B-Cl-Ir
  • Density: 8.659503114299712
  • Atomic Density: 0.0836749621873028
  • Unit Cell Volume: 47.80402518791908
  • Molar Volume: 7.197064214405854
  • Full Formula: B2 Ir1 Cl1
  • Reduced Formula: B2IrCl
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m