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Complete list of Isotopes

Open guilindner opened this issue 5 years ago • 5 comments

Is your feature request related to a problem? Please describe. Many elements are not populated with their Isotopes, and some important information (such as half-life) is missing too. For example, Scandium has 35 isotopes https://en.wikipedia.org/wiki/Isotopes_of_scandium, but none is present in the database.

Describe the solution you'd like Update the database with trusted fonts.

Describe alternatives you've considered Is it ok to submit a pull request with an updated database on Isotopes?

Additional context Keep on with the good work with the mendeleev library! Thanks

guilindner avatar Oct 22 '20 00:10 guilindner

@guilindner thanks for taking the time and reporting the issue :clap:

You are absolutely right that the current data does not contain all the isotopes. If you are curious, check out the source for isotope data you'll basically find that I took the available data from IUPAC CIAAW that only reports the naturally occurring isotopes.

Following your example of Scandium, the data source reports only one isotope Sc 45 and if you check mendeleev has exactly that:

from mendeleev import Sc
Sc.isotopes
[<Isotope(Z=21, A=45, mass=44.955908, abundance=1.0)>]

I would be more than happy to accept and even help out on a PR to include all the other radioisotopes if there is a suitable data source.

Let me know if you need any help

lmmentel avatar Oct 22 '20 17:10 lmmentel

Hi @lmmentel, I got a reliable database from The Lund/LBNL Nuclear Data http://nucleardata.nuclear.lu.se/, and added the missing mass information from the National Institute of Standards and Technology (NIST) https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=&isotype=all. It's more of a proof of concept, I have prepared some scripts to fetch their data. Can you check if it fits the mendeleev standards? If you have any suggestions I can prepare a better suited pull request.

Thanks in advance

guilindner avatar Oct 23 '20 23:10 guilindner

That was really quick :smiley: The data source looks quite solids but if I'm reading it right it's 20 years old. That however should not be an issue given that it's quite accessible. Switching the discussion over to the PR #20 so we can discuss more technical aspects.

lmmentel avatar Oct 24 '20 00:10 lmmentel

Hey @guilindner any progress on the PR?

lmmentel avatar Feb 27 '21 11:02 lmmentel

Hi, I had to do some chances and I still don't know whats the best way to implement it. I will need to find a source and probably create a new table for the Emitted Gamma Ray Energy (one isotope can emit more than one energy) and link it with the isotopes table. But I think you can close this Issue until a proper version is ready. Meanwhile I'm using a workaround for my project.

guilindner avatar Mar 08 '21 20:03 guilindner

FYI @guilindner I had some time and got inspiration from efforts on the julia side, especially this repo from @Gregstrq and submitted a PR #74. It should address this issue so have a look at the PR if you have a second. I still need to update the docs, but that shouldn't take too long hopefully.

lmmentel avatar Sep 25 '22 22:09 lmmentel