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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-65248
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 59
  • Number of elements: 7
  • Element list: ['C', 'Cu', 'H', 'Li', 'N', 'O', 'P']
  • Chemical System: C-Cu-H-Li-N-O-P
  • Density: 2.2464535300783632
  • Atomic Density: 0.10735749380853728
  • Unit Cell Volume: 549.5657350684933
  • Molar Volume: 5.60942748043277
  • Full Formula: Li2 Cu1 P6 H20 C2 N6 O22
  • Reduced Formula: Li2CuP6H20C2(N3O11)2
  • Formula Anonymous: AB2C2D6E6F20G22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1