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Point defect of La2CuO4

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  • Submitted by Prasanna V. Balachandran
  • Work done at Drexel. University
  • Submitted on 2013-05-22
  • Group home page
  • DOI: 10.7920/F82Z13F3


Point defect of La2CuO4
Lattice type: I4/mmm
Number of atoms: 7156

Misc. notes:
From the I4/mmm aristotype, an 8x8x8 supercell was created and 16 atoms were randomly removed -- 8 Cu atoms and 8 O atoms.

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forum thread for this data file.


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