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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24357
  • 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: 22
  • Number of elements: 4
  • Element list: ['Sr', 'Ca', 'Ir', 'O']
  • Chemical System: Ca-Ir-O-Sr
  • Density: 6.1688497730093985
  • Atomic Density: 0.06912721485648898
  • Unit Cell Volume: 318.2538171930249
  • Molar Volume: 8.711678566107745
  • Full Formula: Sr6 Ca2 Ir2 O12
  • Reduced Formula: Sr3CaIrO6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m