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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93949
  • 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: 6
  • Number of elements: 3
  • Element list: ['Y', 'B', 'Ir']
  • Chemical System: B-Ir-Y
  • Density: 13.917538868269041
  • Atomic Density: 0.07318040547358352
  • Unit Cell Volume: 81.98916036569194
  • Molar Volume: 8.2291710752735
  • Full Formula: Y1 B2 Ir3
  • Reduced Formula: YB2Ir3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm