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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-122106
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Pr', 'Al', 'Ir']
  • Chemical System: Al-Ir-Pr
  • Density: 7.482036599357737
  • Atomic Density: 0.057278688986512595
  • Unit Cell Volume: 488.838004071517
  • Molar Volume: 10.513754533414744
  • Full Formula: Pr4 Al18 Ir6
  • Reduced Formula: Pr2(Al3Ir)3
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm