I found that a new tag ‘theoretical’ is given for all entries to tell if the structure originated from an experimental work, or if the structure is purely theoretical. How is this tag determined?
For example, if an ICSD experimental entry has partial occupancies and MP entry does not due to ordering, would this MP entry get True or False?
When comparing the MP structure to ICSD entries, is it done by using the structure matcher of pymatgen or just the composition is compared? I am curious what kind if properties get compared to determine this.
Lastly, I also find that in the query, you have a tag called “icsd_ids”. Would a structure which have nothing listed for this ‘icsd_ids’ tag be always a hypothetical structure? This is because for some materials project entries, I would like to systematically determine whether this material has been synthesized (having an ICSD ID) or it is a hypothetical structure that is derived from other structures (for example substituting Na to Li in Na-oxides). For example, among ~1,200 MP structures that I queried, only 61 have “icsd_ids” tag, so I was wondering if many entries are indeed derived from ICSD structure, but do not have ‘icsd_ids’ in the database.
Thank you for helping me out!