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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116715
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 30
  • Number of elements: 5
  • Element list: ['Ba', 'Zn', 'Ru', 'Ir', 'O']
  • Chemical System: Ba-Ir-O-Ru-Zn
  • Density: 7.269272558575496
  • Atomic Density: 0.0717906556610185
  • Unit Cell Volume: 417.88168284259945
  • Molar Volume: 8.38847438367937
  • Full Formula: Ba6 Zn2 Ru2 Ir2 O18
  • Reduced Formula: Ba3ZnIrRuO9
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1