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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1350813
  • Created at: Sept. 4, 2022, 3:47 p.m.
  • Last updated at: Sept. 4, 2022, 3:47 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Co', 'Cu', 'F', 'Na']
  • Chemical System: Co-Cu-F-Na
  • Density: 4.285011964841077
  • Atomic Density: 0.08524156208236185
  • Unit Cell Volume: 938.5093145372282
  • Molar Volume: 7.064793995892879
  • Full Formula: Na12 Co8 Cu12 F48
  • Reduced Formula: Na3Co2Cu3F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m