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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1361346
  • 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: 96
  • Number of elements: 4
  • Element list: ['Cu', 'F', 'K', 'Rb']
  • Chemical System: Cu-F-K-Rb
  • Density: 4.007367554138548
  • Atomic Density: 0.05409746421756657
  • Unit Cell Volume: 1774.574860180356
  • Molar Volume: 11.132020413711897
  • Full Formula: K12 Rb28 Cu8 F48
  • Reduced Formula: K3Rb7Cu2F12
  • Formula Anonymous: A2B3C7D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm