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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-31987
  • 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: 17
  • Number of elements: 3
  • Element list: ['H', 'N', 'O']
  • Chemical System: H-N-O
  • Density: 1.6824060722495437
  • Atomic Density: 0.11790706570490285
  • Unit Cell Volume: 144.18135078136459
  • Molar Volume: 5.10753170219008
  • Full Formula: H8 N3 O6
  • Reduced Formula: H8(NO2)3
  • Formula Anonymous: A3B6C8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m