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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85981
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Ba', 'Bi', 'Br', 'O']
  • Chemical System: Ba-Bi-Br-O
  • Density: 7.7089598984057845
  • Atomic Density: 0.04910428934201349
  • Unit Cell Volume: 264.74265637884383
  • Molar Volume: 12.263981091459303
  • Full Formula: Ba1 Bi4 Br2 O6
  • Reduced Formula: BaBi4(BrO3)2
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm