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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112240
  • 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: 52
  • Number of elements: 3
  • Element list: ['H', 'C', 'O']
  • Chemical System: C-H-O
  • Density: 1.5842143727347369
  • Atomic Density: 0.13616238361968755
  • Unit Cell Volume: 381.8969572774237
  • Molar Volume: 4.422763908731446
  • Full Formula: H28 C12 O12
  • Reduced Formula: H7(CO)3
  • Formula Anonymous: A3B3C7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2