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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12934
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Li', 'Br', 'O']
  • Chemical System: Br-Li-O
  • Density: 3.2042546752641576
  • Atomic Density: 0.0722944935319467
  • Unit Cell Volume: 165.98774559084836
  • Molar Volume: 8.330013069859652
  • Full Formula: Li7 Br3 O2
  • Reduced Formula: Li7Br3O2
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm