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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101846
  • 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: 24
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'N']
  • Chemical System: C-H-N-S
  • Density: 1.4579639714726946
  • Atomic Density: 0.09973461202754716
  • Unit Cell Volume: 240.63862597040122
  • Molar Volume: 6.038165324528116
  • Full Formula: H9 C13 S1 N1
  • Reduced Formula: H9C13SN
  • Formula Anonymous: ABC9D13
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2