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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112001
  • 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: 17
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'O']
  • Chemical System: C-H-O-S
  • Density: 1.555499602308767
  • Atomic Density: 0.0981740140660451
  • Unit Cell Volume: 173.1619121589905
  • Molar Volume: 6.1341494664246845
  • Full Formula: H6 C9 S1 O1
  • Reduced Formula: H6C9SO
  • Formula Anonymous: ABC6D9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1