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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104163
  • 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: 44
  • Number of elements: 4
  • Element list: ['H', 'C', 'S', 'N']
  • Chemical System: C-H-N-S
  • Density: 1.5123973025588566
  • Atomic Density: 0.10700214010147503
  • Unit Cell Volume: 411.20672874647914
  • Molar Volume: 5.628056368114628
  • Full Formula: H18 C22 S2 N2
  • Reduced Formula: H9C11SN
  • Formula Anonymous: ABC9D11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1