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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111635
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Pd', 'Br', 'O']
  • Chemical System: Ba-Br-O-Pd
  • Density: 6.401363983247048
  • Atomic Density: 0.0516721051273567
  • Unit Cell Volume: 270.93922272944127
  • Molar Volume: 11.654529547726336
  • Full Formula: Ba4 Pd3 Br1 O6
  • Reduced Formula: Ba4Pd3BrO6
  • Formula Anonymous: AB3C4D6
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m