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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-2901
  • 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: 96
  • Number of elements: 5
  • Element list: ['H', 'Li', 'N', 'O', 'S']
  • Chemical System: H-Li-N-O-S
  • Density: 2.416007801586791
  • Atomic Density: 0.12740266249447563
  • Unit Cell Volume: 753.5164345891336
  • Molar Volume: 4.726856285488641
  • Full Formula: Li8 H32 S8 N8 O40
  • Reduced Formula: LiH4SNO5
  • Formula Anonymous: ABCD4E5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm