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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103776
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'O']
  • Chemical System: C-H-O-S
  • Density: 1.5310255148743663
  • Atomic Density: 0.09990302624541329
  • Unit Cell Volume: 230.22325613540627
  • Molar Volume: 6.027986324665001
  • Full Formula: H8 C13 S1 O1
  • Reduced Formula: H8C13SO
  • Formula Anonymous: ABC8D13
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1