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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96870
  • 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: 80
  • Number of elements: 4
  • Element list: ['Li', 'B', 'H', 'O']
  • Chemical System: B-H-Li-O
  • Density: 2.315985177651381
  • Atomic Density: 0.11775350214379963
  • Unit Cell Volume: 679.3853137574171
  • Molar Volume: 5.114192487154912
  • Full Formula: Li12 B20 H8 O40
  • Reduced Formula: Li3B5(HO5)2
  • Formula Anonymous: A2B3C5D10
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422