I Database for magnetism and properties

[DeathbyGreen]

Hi,

I'm trying to find a database in which I could enter a chemical formula and then locate a table of physical properties of that compound (or references). For example, whether the material exhibits magnetism, superconductivity, it's crystal structure, curie temperatures, conductivity, or whatever else happens to have been measured. Can anyone point me in the right direction?

 

[Lord Jestocost]

Maybe, these websites might be of help:
Materials Project: https://www.materialsproject.org/
MatWeb: http://www.matweb.com/index.aspx
Nist Data Gateway: https://srdata.nist.gov/gateway/gateway?dblist=0

 

[SpinFlop]

There is the ICSD that contains around 200,000 different crystal structures http://www2.fiz-karlsruhe.de/icsd_home.html
This is an extremely valuable database and is used all the time by researchers. However, this impressive database is due to the fact that they pay people to scour journals and upload new structures, this is further facilitated by the fact that many journals require that crystal structures be published in a standardized format. Due to the cost of upkeeping and building this data base you will need to pay for a license, which is not very cheap. However, you should check with your university/lab to see if they already have a subscription.

Magnetic crystal structures are a bit of a different story and are not included in the ICSD. As well, whereas the ICSD is important for a wide range of people in both science and industry, the market for people who need to look up magnetic crystal structures is substantially smaller, thus there is no financial enterprise to generate a magnetic analog to the ICSD, there also tends to be less restrictions on how you publish your magnetic order, so it takes a bit more front end effort to aggregate data from different journals and then resupply all of it in a single database with the same standardized format. However, the Bilbao Crystollagraphic Server http://www.cryst.ehu.es/#databasetop does there best to generate something for the community and provide a free database that they have personally collected. Click on the "Crystal Structure" link to expand the options and select the MAGNDATA option. You can then input the elements in your material of interest, cross your fingers, and hope you get a hit.

One trick you can play to get information on the properties of a compound is to look up its MSDS sheet. This is provided for free by companies that synthesize and sell it, such as Sigma-Alderich. You may sometimes find it easier to google the CAS number for a material and then use that to look up different MSDS sheets provided by suppliers. For instance, try googling "cas number for FeO" or "msds for water". Note that the MSDS is focused on listing the safety of a material, but it still includes several useful/general physical properites. It is sometimes useful to look at a few MSDS sheets from different companies