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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1350810
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Ag', 'Cu', 'F', 'Ni']
  • Chemical System: Ag-Cu-F-Ni
  • Density: 5.805714354353352
  • Atomic Density: 0.08134577161720974
  • Unit Cell Volume: 983.4561577024241
  • Molar Volume: 7.403139266215945
  • Full Formula: Cu12 Ni8 Ag12 F48
  • Reduced Formula: Cu3Ni2Ag3F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m