Explore Heusler Alloys
The database, developed by William Butler's group at the University of Alabama and Prof. Avik Ghosh's group at the University of Virginia, provides information on three families of Heusler alloys, “full” Heuslers (A2BC), “half” Heuslers (ABC) and “inverse” Heuslers (ABAC). For each of these families, calculations for numerous systems are provided: 180 for full Heuslers, 378 for half Heuslers and 405 for inverse Heuslers. For each system, the calculated minimum energy, lattice constant, magnetic moment, density of electronic states and formation energy are provided. You can even search for specific materials. They have also provided information about the stability of these phases relative to possible competing phases by linking to the OQMD database of calculated alloy phases. For each alloy, there is also a (probably incomplete) bibliography of experimental records.
What's in the database?
We calculated the electronic and magnetic properties of 180 full, 378 half and 408 inverse Heusler alloys using density-functional theory (DFT). Element selected for A, B and C atoms are listed here.
Using the database
The Heusler database includes calculations on almost 1,000 materials, including formation energy, stability and magnetic moment.
To begin a search, select an A element, B element and C element, or any combination thereof. Note that not every column must have a selection. For example, a selection of Ti for the B element will display every material in the database which has titanium in the B position. Click here for more information.