Problem uploading structure with crystal toolkit

Materials Project Materials Project Website/Apps
1

Hi, I tried to submit a cif file in crystal toolkit yesterday and today, but I have not received any confirmation of whether the submission was successful or not.

The structures I am trying to submit is based on substituting Ca2+ with Mn2+ in Ca2Bi2O5 (mp-28848). I also tried to apply the substitution with crystal toolkit and changing browser but I also have difficulties submitting it.

2

Hi @Vincent_Chung,

Do you get any error message during submission?

Best,

Matt

3

In particular, can you share your CIF here, and we can check if it’s in the submission database.

4

Ok, I think I’ve identified an issue, I’ll update this thread when it’s been fixed. Thank you for reporting it!

5

I have tried to submit a new structure from Crystal Toolkit but It only load the .cif file. Nothing happens when I click on the button “Submit”.
Thank you very much!

6

Welcome @Filippo, this is a known issue and a fix is on the way. I’ve merged your post with the other post discussing this issue. I’ll update this thread when it’s fixed. Thanks for your patience!

7

Hi @Vincent_Chung,

First my apologies for the extreme delay on this, but structure submission should now be working, and I’ve uploaded the structure you requested.

For some technical context, we’re in an awkward in-between stage on the website technology right now. We’re spending a lot of effort trying to build and design an updated web platform, which is reducing the time we can spend on the legacy platform, which is partly causing issues like this.

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@Filippo, you should now be able to submit your structure also.

All the best,

Matt

8

is it still possible to submit a cif for calculation, or has that feature been removed? I don’t see it in the web interface of the crystal toolkit

9

@bayesfactor We haven’t fully ported the option to submit structures for calculation to our new website yet due to its limited use by the community. We’re looking into bringing it back but have no time estimates for it. In the meantime, please use MPRester.find_structure() to check if your structure already exists in MP and also check out the discussion in this thread: Uploading data to MPContribs - #12 by Davit_Gochitashvili HTH