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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12924
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ba', 'Br', 'O']
  • Chemical System: Ba-Br-O
  • Density: 3.9852933305325378
  • Atomic Density: 0.054943455733083214
  • Unit Cell Volume: 327.6095352910542
  • Molar Volume: 10.9606151991162
  • Full Formula: Ba2 Br4 O12
  • Reduced Formula: Ba(BrO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2