Data Visualization Tools:

This page is currently under construction, please check back for updates soon!

To visualize Chemical Pressure data, click here.

To visualize Atomic Charge data, click here.

To visualize Density of States data, click here.

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Publications About the IRD:

Van Buskirk, J.S.; Kraus, J.D.; Fredrickson, D.C., The Intermetallic Reactivity Database: Compiling Chemical Pressure and Electronic Metrics toward Materials Design and Discovery Chem. Mater. 2023 35, 9, 3582-3591.

Sanders, K.M.; Van Buskirk, J.S.; Hilleke, K.P.; Fredrickson, D.C., Self-Consistent Chemical Pressure Analysis: Resolving Atomic Packing Effects through the Iterative Partitioning of Space and Energy J. Chem. Theory Comput. 2023, 19, 13, 4273-4285

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Publications that cite the IRD:

Lu, E.; Gressel, D.G.; Fredrickson, D.C., Buffering Octahedra in Mo₄Zr₉P: Intergrowth as a Solution to the Frustrated Packing of Tricapped Trigonal Prisms and Icosahedra Inorg. Chem. 2022, 61, 21, 8298–8308

Lim, A.; Hilleke, K.P.; Fredrickson, D.C., Entropic Control of Bonding, Guided by Chemical Pressure: Phase Transitions between 18-n+m Isomerism of IrIn₃ Inorg. Chem. 2023, 62, 27, 10833-10846

Kraus, J.D.; Van Buskirk, J.S.; Fredrickson, D.C., The Zintl Concept Applied to Intergrowth Structures: Electron-Hole Matching, Stacking Preferences and Chemical Pressures in Pd₅InAs Z. Anorg. Allg. Chem. 2023, e202300125