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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104151
  • 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: 20
  • Number of elements: 3
  • Element list: ['H', 'C', 'O']
  • Chemical System: C-H-O
  • Density: 1.3067794987167058
  • Atomic Density: 0.13549804777195068
  • Unit Cell Volume: 147.6036026265183
  • Molar Volume: 4.4444483584999945
  • Full Formula: H12 C6 O2
  • Reduced Formula: H6C3O
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m