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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63308
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Zr', 'B', 'Ir']
  • Chemical System: B-Ir-Zr
  • Density: 16.608343632572204
  • Atomic Density: 0.06684881328237427
  • Unit Cell Volume: 134.63215812049413
  • Molar Volume: 9.008597855824362
  • Full Formula: Zr2 B1 Ir6
  • Reduced Formula: Zr2BIr6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m