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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109721
  • 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: 4
  • Number of elements: 3
  • Element list: ['Li', 'Br', 'O']
  • Chemical System: Br-Li-O
  • Density: 3.011445101360295
  • Atomic Density: 0.06607562134007383
  • Unit Cell Volume: 60.536698995429084
  • Molar Volume: 9.114013062405615
  • Full Formula: Li2 Br1 O1
  • Reduced Formula: Li2BrO
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm