Observing Magnesium-ion Motion in Antiperovskite Materials

Published November 17, 2025

At lower magnetic fields, 25Mg solid-state NMR spectra required nearly two weeks of spectrometer time (blue).

We used the world’s strongest magnet to uncover how magnesium ions move through antiperovskites, a new class of solid materials that could power future magnesium-ion batteries. Ultrahigh-field solid-state nuclear magnetic resonance (NMR) measurements on ²⁵Mg isotopes showed that magnesium moves easily through these structures, with energy barriers much lower than expected. The MagLab’s magnet made these atomic-scale insights possible in minutes, rather than using weeks of instrument time on conventional equipment.

What is the finding

Scientists used the world’s strongest NMR magnet to study how magnesium ions (²⁵Mg) move inside special materials called antiperovskites. The ultra-high magnetic field allowed researchers to perform variable-temperature solid state nuclear magnetic resonance (SSNMR) to measure magnesium’s motion in detail for the first time, finding low-energy pathways.

Why is this important?

Magnesium-ion batteries could store more energy and avoid the safety risks of lithium-ion systems, but progress has been limited because magnesium carries a double positive charge (Mg²⁺) and has difficultly moving through solid materials. Researchers have struggled to identify and validate solid electrolytes that allow fast magnesium transport This research confirms that antiperovskites allow magnesium ions to move easily — a major step toward designing faster, more efficient materials for next-generation batteries critical for energy security and independence.

Who did the research?

David M. Halat^1,2,3, Haoyu Liu⁴, Kwangnam Kim^5,6, Grant C. B. Alexander⁷, Xiaoling Wang^8,9, Amrit Venkatesh⁹, Adam R. Altenhof¹⁰, Harris E. Mason¹¹, Saul H. Lapidus¹², Jeong Seop Yoon¹³, Ivan Hung⁸, Zhehong Gan⁸, Jordi Cabana^7,14, Donald J. Siegel¹³, Jeffrey A. Reimer^2,3, Baris Key⁴

¹Colorado School of Mines; ²University of California Berkeley; ³Lawrence Berkeley National Laboratory; ⁴Argonne National Laboratory; ⁵University of Michigan; ⁶Lawrence Livermore National Laboratory; ⁷University of Illinois at Chicago; ⁸National MagLab, Florida State University; ⁹California State University East Bay; ¹⁰Los Alamos National Laboratory (MPA-Q); ¹¹Los Alamos National Laboratory (Chemistry Division); ¹²Advanced Photon Source, Argonne National Laboratory; ¹³University of Texas at Austin; ¹⁴Argonne National Laboratory (Materials Science Division)

Why did they need the MagLab?

The MagLab’s 36T Series-Connected Hybrid magnet enabled ²⁵Mg solid-state NMR experiments that would be nearly impossible at conventional fields. At 11.7 T, a spectrum must be acquired in small pieces over ~2 weeks. At 35.2 T, the entire spectrum can be captured in only 20 minutes: a time savings of nearly 1000-fold. This unique capability made it feasible to conduct the variable-temperature measurements that revealed magnesium-ion motion in antiperovskites.

Details for scientists

View or download the expert-level Science Highlight, Probing Mg-ion Transport in Antiperovskites via Ultrahigh Field ²⁵Mg NMR
Read the full-length publication, Mg-Ion Conduction in Antiperovskite Solid Electrolytes Revealed by ²⁵Mg Ultrahigh Field NMR and First-Principles Calculations, in Journal of the American Chemical Society

Funding

This research was funded by the following grants: D.M.H., J.C., D.J.S., J.A.R., B.K. (DOE BES JCESR, DE-AC02-06CH11357); X.W., A.V., I.H., Z.G. (NSF DMR-2128556, NSF DMR-1039938, NSF DMR-0603042, NIH BTRR 1P41 GM122698); K.K. (DOE DE-AC52-07NA27344); X.W. (DOE DE-SC0025712); D.M.H. (Pines Magnetic Resonance Center Fellowship); J.C., D.J.S., J.A.R., B.K. (DOE Office of Science, Argonne National Laboratory, DE-AC02-06CH11357); D.J.S., J.A.R., B.K. (DOE, Los Alamos National Laboratory, 89233218CNA000001).)

For more information, contact Robert Schurko.