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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98573
  • 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: 48
  • Number of elements: 4
  • Element list: ['H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O
  • Density: 1.6860359416791333
  • Atomic Density: 0.11380198387960712
  • Unit Cell Volume: 421.7852656310451
  • Molar Volume: 5.291771333591966
  • Full Formula: H20 C8 N4 O16
  • Reduced Formula: H5C2NO4
  • Formula Anonymous: AB2C4D5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m