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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-41047
  • 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: 3
  • Element list: ['Nd', 'Ni', 'Ir']
  • Chemical System: Ir-Nd-Ni
  • Density: 10.273463197266183
  • Atomic Density: 0.0458797803521853
  • Unit Cell Volume: 87.1843755417952
  • Molar Volume: 13.125914539634799
  • Full Formula: Nd2 Ni1 Ir1
  • Reduced Formula: Nd2NiIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m