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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-688287
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['C', 'H', 'K', 'N', 'O']
  • Chemical System: C-H-K-N-O
  • Density: 1.3872573574205622
  • Atomic Density: 0.11468719010722611
  • Unit Cell Volume: 767.3045256207334
  • Molar Volume: 5.2509271125830494
  • Full Formula: K4 H52 C16 N8 O8
  • Reduced Formula: KH13C4(NO)2
  • Formula Anonymous: AB2C2D4E13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m