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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103863
  • 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: 32
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'N']
  • Chemical System: C-H-N-S
  • Density: 1.6189961844344152
  • Atomic Density: 0.1038589816115537
  • Unit Cell Volume: 308.1100883473345
  • Molar Volume: 5.798382255011513
  • Full Formula: H12 C14 S2 N4
  • Reduced Formula: H6C7SN2
  • Formula Anonymous: AB2C6D7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1