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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1741405
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Ir', 'O']
  • Chemical System: Ca-Ir-O
  • Density: 6.485370004538615
  • Atomic Density: 0.07908900403488357
  • Unit Cell Volume: 151.72779258551788
  • Molar Volume: 7.614384367950607
  • Full Formula: Ca2 Ir2 O8
  • Reduced Formula: CaIrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m