Hello all,
I need to create a list of as many materials that have the same lattice parameters as graphene (2.46 A). Is there anyway on the materials project website to search via the lattice constant?
Hi @Sam_Block, welcome!
This is actually more difficult than it first appears, since it’s possible to represent the same crystal structure with multiple, different, but equivalent, sets of lattice parameters. So a “naive” search on lattice parameter alone can be tricky.
There are some normalization techniques that can help, e.g. if you download all Materials Project structures, apply the relevant normalization (e.g., Minkowski reduction), and search that way.
For graphene specifically, you might want to restrict your search to just hexagonal materials. Searching by a normalize volume (eg, volume per atom) can also be helpful.
Hope this helps point you in the right direction,
Matt
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Hi Matt. Thank you so much for your reply!
I had a feeling it wouldnt be as easy as I had originally made it out to be.
Just one more quick question: Is there a way I can download all materials project structures from the website (if so, how?) or will I have to do that through API?
The API is the way to go, but it’s relatively straight forward! Getting all structures shouldn’t take longer than a few minutes. We have some tutorials at workshop.materialsproject.org.