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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-687906
  • 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: 84
  • Number of elements: 5
  • Element list: ['C', 'H', 'N', 'O', 'Zn']
  • Chemical System: C-H-N-O-Zn
  • Density: 2.0465599736845395
  • Atomic Density: 0.11130700064756359
  • Unit Cell Volume: 754.669513249872
  • Molar Volume: 5.410388138180256
  • Full Formula: Zn4 H36 C16 N4 O24
  • Reduced Formula: ZnH9C4NO6
  • Formula Anonymous: ABC4D6E9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm