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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112020
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 4
  • Element list: ['H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O
  • Density: 2.228814707602726
  • Atomic Density: 0.1247862127862276
  • Unit Cell Volume: 32.05482329087458
  • Molar Volume: 4.825966447364329
  • Full Formula: H1 C1 N1 O1
  • Reduced Formula: HCNO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m