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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-20223
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 168
  • Number of elements: 5
  • Element list: ['C', 'H', 'Li', 'N', 'Si']
  • Chemical System: C-H-Li-N-Si
  • Density: 1.2902791244838354
  • Atomic Density: 0.12822102763179882
  • Unit Cell Volume: 1310.2375102033263
  • Molar Volume: 4.696687330640695
  • Full Formula: Li4 Si12 H108 C36 N8
  • Reduced Formula: LiSi3H27C9N2
  • Formula Anonymous: AB2C3D9E27
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1