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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101802
  • 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: 13
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'O']
  • Chemical System: C-H-O-S
  • Density: 1.6937227566212583
  • Atomic Density: 0.08487602722123522
  • Unit Cell Volume: 153.16456749459542
  • Molar Volume: 7.095219883822878
  • Full Formula: H4 C6 S2 O1
  • Reduced Formula: H4C6S2O
  • Formula Anonymous: AB2C4D6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1