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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112102
  • 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: 12
  • Number of elements: 4
  • Element list: ['H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O
  • Density: 2.1701944165328313
  • Atomic Density: 0.10452092442539948
  • Unit Cell Volume: 114.80954714062878
  • Molar Volume: 5.761660445606017
  • Full Formula: H2 C2 N2 O6
  • Reduced Formula: HCNO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m