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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56506
  • 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: 6
  • Number of elements: 2
  • Element list: ['Ca', 'Ir']
  • Chemical System: Ca-Ir
  • Density: 12.957204266599504
  • Atomic Density: 0.05514339380971584
  • Unit Cell Volume: 108.80723121076466
  • Molar Volume: 10.920874367618165
  • Full Formula: Ca2 Ir4
  • Reduced Formula: CaIr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m