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Properties for Pseudopotentials: Finding Magnetic Data in SciFinder

This guide teaches researchers how to locate some basic physical properties of elements and oxides, specifically required for generating and testing pseudopotentials.

Searching for Magnetic Data in SciFinder

Description

When a new substance is published in the literature, Chemical Abstracts Service registers it in the CAS Registry, assigning it a CAS Registry Number and entering appropriate identification information into the database.  Recently, CAS has begun including a large amount of physical property and spectral information in the Registry, making it a good place to look for references to property information in the primary literature.

How Do I Use It?

SciFinder Formula Search

  1. Search SciFinder by substance, using a formula, name, Registry Number, or structure.
  2. From the list of substance results, select the one that interests you, and click on the "Experimental Properties" link from the brief view.
  3. If SciFinder has magnetic properties for the substance, they will be listed in the link list beside the Experimental Properties label.  Click on the word "Magnetic" to zoom directly to those properties in the list.

Experimental Properties in SciFinder

Magnetic Properties in SciFinder

 

Note that, in some cases, the value of the property cannot be seen in the list of experimental properties.  By clicking on the reference number, in the "Note" area of the grid, you can get to the abstract of the article and link to the full text to find the property value.