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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-104110
  • 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: 24
  • Number of elements: 4
  • Element list: ['H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O
  • Density: 1.7237663131607142
  • Atomic Density: 0.10637406773303541
  • Unit Cell Volume: 225.61889858562387
  • Molar Volume: 5.661286522494966
  • Full Formula: H6 C14 N2 O2
  • Reduced Formula: H3C7NO
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1