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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52533
  • 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: 3
  • Element list: ['Ba', 'Br', 'O']
  • Chemical System: Ba-Br-O
  • Density: 4.615309406742133
  • Atomic Density: 0.032222959847103196
  • Unit Cell Volume: 434.47281275306506
  • Molar Volume: 18.688974534229146
  • Full Formula: Ba6 Br4 O4
  • Reduced Formula: Ba3(BrO)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m