Hello,
I have three quick questions:
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I am interested in one of the structures of AgInS2 (space group Pna21). I have used the “substitute one species for another” function to swap S for Se in the structure to make a AgInSe2 analog with the space group of Pna21. I would like to download a .CIF of this structure, but when I select “download file” nothing happens. Is it not possible to download .CIF files of structures that have been altered in the Crystal Toolkit?
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Experimentally, AgInSe2 has been found to crystallize in the Pna21 space group on the nanoscale. To generate a simulated diffraction pattern of this phase, I have been using a AgInS2 Pna21 .CIF file that I manually edited to swap S for Se. I also adjusted the lattice parameters to match those that were experimentally reported for this phase of AgInSe2. Do I need to make any more edits to this .CIF file before I submit it to the MP database via the Crystal Toolkit for computational analyses?
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How long does it usually take for new phases to be added to the MP database such that they are available to users?
Thanks!