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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112003
  • 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: 18
  • Number of elements: 4
  • Element list: ['H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O
  • Density: 1.449177261519763
  • Atomic Density: 0.1329745529205944
  • Unit Cell Volume: 135.36424529848713
  • Molar Volume: 4.52879188365921
  • Full Formula: H10 C4 N2 O2
  • Reduced Formula: H5C2NO
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1