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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91450
  • 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: 32
  • Number of elements: 4
  • Element list: ['Li', 'H', 'C', 'O']
  • Chemical System: C-H-Li-O
  • Density: 1.5510277877211538
  • Atomic Density: 0.10678875056013679
  • Unit Cell Volume: 299.6570315894799
  • Molar Volume: 5.639302574861295
  • Full Formula: Li4 H12 C4 O12
  • Reduced Formula: LiH3CO3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2