I wanna use MD simulations in order to study different oxides, Like SiO2, MgO .... . From where can i get the details about their crystal structure? is there any website that i can get their ready to use files? in order to import into program.
I believe you will find what you are looking for in AMCSD and COD, and both databases are free. It is possible to request known deposited structures from the other two, but if you are looking for something in particular and cannot find it in the free ones just reply here and I am sure someone will help you (eventually). The websites for these two databases are:
Hi Daniel, Thanks. It was very useful. But I could not find some structures, for example Al2O3 (Aluminium oxide) or Alumina is not available in AMCSD or COD.
I mean, Al2O3 is corundum, sapphire, ruby... It would be VERY surprising if this phases is not given even by multiple descriptions in AMCSD. Or are you looking for another modification?
By the way, there is a great android app which will help in finding different information about minerals, including crystallographic properties. BUT it dose not have atomic configurations in the lattice.