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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90236
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ir', 'Br', 'O']
  • Chemical System: Br-Ir-O
  • Density: 5.479163351898319
  • Atomic Density: 0.042204354653064144
  • Unit Cell Volume: 213.24813692765653
  • Molar Volume: 14.269003304290019
  • Full Formula: Ir1 Br6 O2
  • Reduced Formula: Ir(Br3O)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m