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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57100
  • 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: 29
  • Number of elements: 4
  • Element list: ['Ba', 'Os', 'Cl', 'O']
  • Chemical System: Ba-Cl-O-Os
  • Density: 7.893389026540321
  • Atomic Density: 0.06844234272556347
  • Unit Cell Volume: 423.71430966766707
  • Molar Volume: 8.798852464982483
  • Full Formula: Ba4 Os6 Cl1 O18
  • Reduced Formula: Ba4Os6ClO18
  • Formula Anonymous: AB4C6D18
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23