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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103793
  • 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: 36
  • Number of elements: 3
  • Element list: ['H', 'C', 'N']
  • Chemical System: C-H-N
  • Density: 1.2633331729377975
  • Atomic Density: 0.11492039487767408
  • Unit Cell Volume: 313.2603228375595
  • Molar Volume: 5.24027155180785
  • Full Formula: H18 C16 N2
  • Reduced Formula: H9C8N
  • Formula Anonymous: AB8C9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1