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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112252
  • 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: 1.4206078634726265
  • Atomic Density: 0.11572303627725425
  • Unit Cell Volume: 449.34873533231666
  • Molar Volume: 5.203925643267685
  • Full Formula: H24 C22 O6
  • Reduced Formula: H12C11O3
  • Formula Anonymous: A3B11C12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1