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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101836
  • 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: 52
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'O']
  • Chemical System: C-H-O-S
  • Density: 1.691894936228542
  • Atomic Density: 0.09871667220642619
  • Unit Cell Volume: 526.7600582327465
  • Molar Volume: 6.100429264275762
  • Full Formula: H16 C30 S4 O2
  • Reduced Formula: H8C15S2O
  • Formula Anonymous: AB2C8D15
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2