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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103779
  • 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: 22
  • Number of elements: 3
  • Element list: ['H', 'C', 'S']
  • Chemical System: C-H-S
  • Density: 1.4006777460596964
  • Atomic Density: 0.08578498567315426
  • Unit Cell Volume: 256.45513404666485
  • Molar Volume: 7.020040526607655
  • Full Formula: H8 C12 S2
  • Reduced Formula: H4C6S
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1