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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112096
  • 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: 29
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'O']
  • Chemical System: C-H-O-S
  • Density: 1.6029843683249356
  • Atomic Density: 0.10671791885377044
  • Unit Cell Volume: 271.7444297216578
  • Molar Volume: 5.643045539757763
  • Full Formula: H10 C17 S1 O1
  • Reduced Formula: H10C17SO
  • Formula Anonymous: ABC10D17
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1