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Updated: Aug 19, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Crystal Chemistry and Physics of UCd11
Nazar Zaremba1, Kristian Witthaut1, Yurii Prots1
1Department Chemische Metallkunde, Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Street 40, 01187 Dresden, Germany.
Abstract:
In the phase diagram U-Cd, only one compound has been identified so far─UCd11 (space group Pm3̅m). Since the discovery of this material, the physical properties of UCd11 have attracted a considerable amount of attention. In particular, its complex magnetic phase diagram─as a result of tuning with magnetic field or pressure─is not well-understood. From a chemical perspective, a range of lattice parameter values have been reported, suggesting a possibility of a considerable homogeneity range, i.e., UCd11-x. In this work, we perform a simultaneous study of crystallographic features coupled with measurements of physical properties. This work sheds light on the delicate relationship between the intrinsic crystal chemistry and magnetic properties of UCd11.
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