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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21589
  • 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: ['Ba', 'Sc', 'Ir', 'O']
  • Chemical System: Ba-Ir-O-Sc
  • Density: 7.298258351696776
  • Atomic Density: 0.07230907114657055
  • Unit Cell Volume: 276.5904703638079
  • Molar Volume: 8.328333727027298
  • Full Formula: Ba4 Sc2 Ir2 O12
  • Reduced Formula: Ba2ScIrO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m