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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21191
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Ni', 'Ir', 'O']
  • Chemical System: Ca-Ir-Ni-O
  • Density: 6.36311378219761
  • Atomic Density: 0.08972817787344721
  • Unit Cell Volume: 222.89542119319572
  • Molar Volume: 6.711538005924558
  • Full Formula: Ca4 Ni2 Ir2 O12
  • Reduced Formula: Ca2NiIrO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m