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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101839
  • 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: 46
  • Number of elements: 3
  • Element list: ['H', 'C', 'O']
  • Chemical System: C-H-O
  • Density: 1.4673506689821287
  • Atomic Density: 0.10358825249415551
  • Unit Cell Volume: 444.0657979300822
  • Molar Volume: 5.813536395297113
  • Full Formula: H16 C26 O4
  • Reduced Formula: H8C13O2
  • Formula Anonymous: A2B8C13
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1