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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103838
  • 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: 12
  • Number of elements: 5
  • Element list: ['H', 'C', 'S', 'N', 'O']
  • Chemical System: C-H-N-O-S
  • Density: 1.8576597242768917
  • Atomic Density: 0.08539033129088533
  • Unit Cell Volume: 140.5311329583856
  • Molar Volume: 7.0524855319806115
  • Full Formula: H3 C5 S2 N1 O1
  • Reduced Formula: H3C5S2NO
  • Formula Anonymous: ABC2D3E5
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1