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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112236
  • 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: 46
  • Number of elements: 3
  • Element list: ['H', 'C', 'O']
  • Chemical System: C-H-O
  • Density: 1.2586066464139616
  • Atomic Density: 0.11762933250304722
  • Unit Cell Volume: 391.05892230416555
  • Molar Volume: 5.119591033846932
  • Full Formula: H24 C20 O2
  • Reduced Formula: H12C10O
  • Formula Anonymous: AB10C12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1