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Properties for Pseudopotentials: Finding Magnetic Data in Reaxys

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

The Reaxys Magnetic Data Fields

Description

The Magnetic Data category has three sub-fields: Description, Temperature (°C), and Moment (Acm²).

 

How Do I Use It

You'll want to search in the Description field, which includes such terms as magnetization, magnetic moment, diamagnetic, ferromagnetic, and more.  (5 steps)

  1. Use the "Properties (Advanced)" section of the Substances and Properties tab, and enter the  name or formula of your substance, following the instructions in the General Tips tab.
  2. Type "magnet" in the second search box down, and the system will scroll to that part of the property hierarchy.
  3. Click on the "Description" link under "Magnetic Data."  Be sure that the "and" operator is selected.
  4. Click on the button with three dots (...).
  5. Select the appropriate property from the list (we recommend "magnetization"), and then click "Transfer."

           Hierarchy showing Magnetic Data tree

         

Results

You will retrieve all substances that have the identifier that you chose, as well as the appropriate magnetic property that you selected from the index.

Reaxys' Magnetic Susceptibility Field

Description

In this case, we are going to search for substance records that have the field "Magnetic Susceptibility" in their record.

Searching for Magnetic Susceptibility

How Do I Use It

  1. Use the "Properties (Advanced)" section of the Substances and Properties tab, and enter the  name or formula of your substance, following the instructions in the General Tips tab.
  2. Type "magnet" in the second search box down, and the system will scroll to that part of the property hierarchy.
  3. Click on the word "exists" link beside "Magnetic Susceptibility."  Be sure that the "and" operator is selected.

Results

You will retrieve all substances with the identifiers that you specified that have the field "Magnetic Susceptibility" as part of their record.