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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97715
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 104
  • Number of elements: 6
  • Element list: ['Li', 'B', 'H', 'C', 'N', 'O']
  • Chemical System: B-C-H-Li-N-O
  • Density: 1.2174754299368726
  • Atomic Density: 0.12304113725909664
  • Unit Cell Volume: 845.2457634636428
  • Molar Volume: 4.8944124657420405
  • Full Formula: Li4 B4 H60 C20 N4 O12
  • Reduced Formula: LiBH15C5NO3
  • Formula Anonymous: ABCD3E5F15
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m