tio2 quantum espresso DFT
See the post
https://www.researchgate.net/publication/275956030_Implantation_of_titanium_dioxide_with_transition_metalions
Chapter Implantation of titanium dioxide with transition metalions
Dear Asma, if you need the cif files for DFT calculations, you can find examples of this on the webpage:
http://rruff.geo.arizona.edu/AMS/amcsd.php
---- > American mineralogist crystal structure database
Please follow the below link
https://nanografi.com/blog/differences-between-rutile-and-anatase-tio2-nanoparticles-and-their-applications/#:~:text=The%20density%20of%20Rutile%20titanium,anatase%20titanium%20dioxide%20is%20low.&text=The%20anatase%20and%20rutile%20titanium,octahedron%20is%20different%20for%20both.
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