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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-7798
  • 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: 4
  • Number of elements: 2
  • Element list: ['Zr', 'Ir']
  • Chemical System: Ir-Zr
  • Density: 17.52110749088585
  • Atomic Density: 0.06319420587245732
  • Unit Cell Volume: 63.29694225564068
  • Molar Volume: 9.529577398526502
  • Full Formula: Zr1 Ir3
  • Reduced Formula: ZrIr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m