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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97561
  • 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: 44
  • Number of elements: 5
  • Element list: ['Li', 'Cu', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-Li-O
  • Density: 2.4778294907487854
  • Atomic Density: 0.07710582027207442
  • Unit Cell Volume: 570.6443410463992
  • Molar Volume: 7.810228512906503
  • Full Formula: Li4 Cu4 H16 Cl12 O8
  • Reduced Formula: LiCuH4Cl3O2
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m