Plastic ferroelectrics comprise a class of solution-processable molecular ferroelectrics, in which spherical polar molecules can rotate and/or freeze within crystal lattices. Some compounds exhibit superior multiaxial ferroelectricity and very sharp ferroelectric switching characteristics, although the domain wall (DW) characteristics have not yet been explored. Here, we report distinctive DW characteristics in drop-casted monocrystalline thin films of a typical plastic/ferroelectric $\left[\mathrm{AH}\right]\left[\mathrm{Re}{\mathrm{O}}_4\right]$. We demonstrate that the films form ${71}^{\circ }, {109}^{\circ }$, and ${180}^{\circ }$ DWs, unique to the pseudocubic rhombohedral lattice, that emerge and compete with each other, depending on the crystallographic orientation of the films. Particularly, it is observed that all three types of DWs intersect at several single points, whose unique nature should be ascribed to the small elastic deformation. The observed domains and ${180}^{\circ }$ DWs also comprise much larger periodicity and scaling than those of conventional inorganic ferroelectric films, which should be associated with the unique polarization reversal mechanism in the compound films. These observed features reveal the exotic multiaxial ferroelectricity of soft plastic/ferroelectrics, paving the way for developing printable ferroelectronics.

Motivated by the potential of atomically thin magnets towards achieving tunable high-frequency magnonics, we detail the spin-wave dispersion of bilayer ${\mathrm{CrI}}_3$. We demonstrate that the magnonic behavior of the bilayer strongly depends on its stacking configuration and the interlayer magnetic ordering, where a topological band gap opens in the dispersion caused by the Dzyaloshinskii-Moriya and Kitaev interactions, classifying bilayer ${\mathrm{CrI}}_3$ as a topological magnon insulator. We further reveal that both the size and the topology of the band gap in a ${\mathrm{CrI}}_3$ bilayer with an antiferromagnetic interlayer ordering are tunable by an external magnetic field.

Noncollinear magnetic structures and multiple magnetic phase transitions in a sawtooth lattice antiferromagnet consisting of ${\mathrm{Cr}}^{3+}$ are experimentally identified in this work, thereby proposing the scenario of magnetism-driven ferroelectricity in a sawtooth lattice. The title compound, ${\mathrm{BeCr}}_2{\mathrm{O}}_4$, displays three magnetic phase transitions at low temperatures—at $T_{N1}\approx 7.5$ K, at $T_{N2}\approx 25$ K, and at $T_{N3}\approx 26$ K—revealed through magnetic susceptibility, specific heat, and neutron diffraction in this work. These magnetic phase transitions are found to be influenced by externally applied magnetic fields. Isothermal magnetization curves at low temperatures below the magnetic transitions indicate the antiferromagnetic nature of ${\mathrm{BeCr}}_2{\mathrm{O}}_4$ with two spin-flop-like transitions occurring at $H_{c1}\approx 29$ kOe and $H_{c2}\approx 47$ kOe. Our high-resolution x-ray and neutron diffraction studies, performed on single crystal and powder samples, unambiguously determined the crystal structure as orthorhombic $Pbnm$. By performing the magnetic superspace group analysis of the neutron diffraction data at low temperatures, the magnetic structure in the temperature range $T_{N3,N2}<T<T_{N1}$ is determined to be the polar magnetic space group $P21nm.1^{\prime }\left(00g\right)0s0s$ with a cycloidal magnetic propagation vector ${\mathbf{k}}_1=(0,0,0.090\left(1\right))$. The magnetic structure in the newly identified phase below $T_{N1}$ is determined as $P21/b.1^{\prime }\left[b\right]\left(00g\right)00s$ with the magnetic propagation vector ${\mathbf{k}}_2=(0,0,0.908\left(1\right))$. The cycloidal spin structure determined in our work is usually associated with electric polarization, thereby making ${\mathrm{BeCr}}_2{\mathrm{O}}_4$ a promising multiferroic belonging to the sparsely populated family of sawtooth lattice antiferromagnets.

Geometrical frustration and the enhancement of strong quantum fluctuations in two-dimensional triangular antiferromagnets can lead to various intriguing phenomena. Here, we studied the spin-1/2 triangular lattice antiferromagnet ${\mathrm{NdAuAl}}_4{\mathrm{Ge}}_2$. Thermodynamic and transport properties, such as magnetization and specific heat together with the resistivity measurements were performed. In zero field, two successive phase transitions were observed at $T_{\mathrm{N}1}=1.75\pm 0.02$ and $T_{\mathrm{N}2}=0.49\pm 0.02$ K, respectively. Under magnetic field, $\mathrm{XXZ}$-type anisotropy was revealed with the moments pointing along the easy $c$ axis. For $B\parallel c$, multiple field-induced states were observed, and the magnetic phase diagram was established based on the specific-heat and magnetization data. The temperature-dependent resistivity measurements indicate that ${\mathrm{NdAuAl}}_4{\mathrm{Ge}}_2$ is a good metal. It is very likely that both the long-range Ruderman-Kittel-Kasuya-Yosida interactions and the geometrical frustration play important roles in this case.

Thermoelectric materials hold tremendous promise for advances in fundamental science and practical applications, particularly for robust electricity generation in extreme and remote environments. Despite this, for most materials the energy conversion efficiency is limited by the proportionality between the electrical and thermal conductivities and small values of the Seebeck coefficient for metals. It was previously reported that the heavy-fermion compound ${\mathrm{YbIr}}_2{\mathrm{Zn}}_{20}$ exhibits large Seebeck coefficient [E. Mun et al., Phys. Rev. B 86, 115110 (2012)] and thermoelectric figure of merit $ZT$ at 35 K [K. Wei et al., Sci. Adv. 5, eaaw6183 (2019)]. This behavior is primarily associated with strong hybridization between the $f$- and conduction electron states. Here, we seek to improve the thermoelectric properties through chemical substitution on the Yb site using Ce and Sm. By surveying different levels of substitution, we find that the thermoelectric properties vary strongly with the $f$-element ratio. This confirms that electronic hybridization dominates the thermoelectric properties and clarifies directions for optimizing these materials for applications. We also investigate the impact of the disorder on the thermal conductivity, where we find only weak variation with lanthanide content.

Accurate exploration of processes involving interactions among defects, voids, and density shrinkage in rapid solidification requires the ability to simulate phase transformations over large density ranges. We begin this work by presenting a number of numerical artifacts that arise in previous attempts to model the dynamics of solid-liquid-vapor interactions using phase field crystal (PFC) models based on a single density field coupled to its mean field. We then propose a new PFC formalism for modeling solid-liquid-vapor systems that self-consistently couples two components of the density field, one varying on the usual atomic length-scales, the other on scales much greater than the atomic lattice constant. It is shown that the new formalism is free of the aforementioned artifacts exhibited by previous PFC models. We generalize this new solid-liquid-vapor PFC model to alloys and demonstrate its utility through the nucleation of voids in both a fully solid material and during solidification into a liquid.

We report optical pumping and x-ray absorption spectroscopy experiments at the Pohang Accelerator Laboratory free electron laser that probes the electron dynamics of a graphene monolayer adsorbed on copper in the femtosecond regime. By analyzing the results with ab initio theory we infer that the excitation of graphene is dominated by indirect excitation from hot electron-hole pairs created in the copper by the optical laser pulse. However, once the excitation is created in graphene, its decay follows a similar path as in many previous studies of graphene adsorbed on semiconductors, i.e., rapid excitation of strongly coupled optical phonons and eventual thermalization. It is likely that the lifetime of the hot electron-hole pairs in copper governs the lifetime of the electronic excitation of the graphene.

Hexagonal boron nitride (hBN) is a wide band gap material with both strong excitonic light emission in the ultraviolet and strong exciton-phonon coupling. Luminescence experiments performed on the recently synthesized monolayer form (m-hBN) present emission spectra that differ from one another, with some suggesting a coexistence between phonon-assisted and direct emission channels. Motivated by these results, we investigated the optical response of (m-hBN) using an ab initio approach that takes into account the effects of atomic vibrations on the luminescence spectra. We construct the dynamical exciton-phonon self-energy, then use it to perturbatively correct the optical response functions and test this approach on bulk hBN as a benchmark. Within our approach we are able to estimate the renormalization of the direct peak induced by phonon-assisted transitions, and this allows us to accurately describe spectra where both processes are present. We found that the emission signal of m-hBN is strongly dependent on its interaction with the substrate, which changes its nature from direct to indirect material and modifies the screening felt by the electrons. We attribute the m-hBN emission signal to the bright direct excitons and consider the likelihood of phonon replicas appearing.

Structural strain severely impacts material properties, such as the linear and nonlinear optical response. Moreover, strain plays a key role, e.g., in the physics of ferroelectrics and, in particular, of their domain walls. $\mu$-Raman spectroscopy is a well-suited technique for the investigation of such strain effects as it allows to measure the lattice dynamics locally. However, quantifying and reconstructing strain fields from Raman maps requires knowledge on the strain dependence of phonon frequencies. In this paper, we have analyzed both theoretically and experimentally the phonon frequencies in the widely used ferroelectrics lithium niobate and lithium tantalate as a function of uniaxial strain via density functional theory and $\mu$-Raman spectroscopy. Overall, we find a good agreement between our ab initio models and the experimental data performed with a stress cell. The majority of phonons show an increase in frequency under compressive strain, whereas the opposite is observed for tensile strains. Moreover, for $E$-type phonons, we observe the lifting of degeneracy already at moderate strain fields (i.e., at $\pm 0.2\%$) along the $x$ and $y$ directions. This paper, hence, allows for the systematic analysis of three-dimensional strains in modern-type bulk and thin-film devices assembled from lithium niobate and tantalate.

When the particle dispersion is dried, its constituents consolidate to form a solid particulate film, resulting in a transition from a liquid to a solid phase. The resultant particulate film stores the strain energy, which builds up during its formation and is often released to crack and warp. Here, we investigate the dependence of ionic strength of dispersion on the mechanical property of a resultant dried particulate film in conjunction with their role in warping. We show that the increasing ionic strength results in a faster consolidation of its constituents, increasing interparticle adhesion, thereby changing the particulate film's Young's modulus and limiting the drying induced warping. We explain this phenomenon using a theoretical model, wherein we show that the differential shrinkage during the drying in the particulate film generates the strain gradient, which later results in warping. Furthermore, our calculation shows that the curvature of a warped region is proportional to the strain gradient and is inversely proportional to the particulate film's Young's modulus.

The phonon density of states (DOS) summarizes the lattice vibrational modes supported by a structure and gives access to rich information about the material's stability, thermodynamic constants, and thermal transport coefficients. Here, we present an atomistic line graph neural network (ALIGNN) model for the prediction of the phonon density of states and the derived thermal and thermodynamic properties. The model is trained on a database of over 14 000 phonon spectra included in the joint automated repository for various integrated simulations: density functional theory (jarvis-dft) database. The model predictions are shown to capture the spectral features of the phonon density of states, effectively categorize dynamical stability, and lead to accurate predictions of DOS-derived thermal and thermodynamic properties, including heat-capacity $C_{\mathrm{V}}$, vibrational entropy $S_{\mathrm{vib}}$, and the isotopic phonon-scattering rate ${\tau }_{\mathrm{i}}^{-1}$. A comparison of room temperature thermodynamic property predictions reveals that the DOS-mediated ALIGNN model provides superior predictions when compared to a direct deep-learning prediction of these material properties as well as predictions based on analytic simplifications of the phonon DOS, including the Debye or Born–von Karman models. Finally, the ALIGNN model is used to predict the phonon spectra and properties for about 40 000 additional materials listed in the jarvis-dft database, which are validated as far as possible against other open-sourced high-throughput DFT phonon databases.

Single crystals of the triangular lattice antiferromagnet (TLAF) ${\mathrm{Ca}}_3{\mathrm{NiNb}}_2{\mathrm{O}}_9$ and its nonmagnetic analog ${\mathrm{Ca}}_3{\mathrm{MgNb}}_2{\mathrm{O}}_9$ are grown using the four-mirror optical floating-zone furnace. By varying the growth conditions, two types of mm-sized crystals are obtained: monoclinic crystals of the form ${\mathrm{Ca}}_3{\mathrm{NiNb}}_2{\mathrm{O}}_9$ where ${\mathrm{Ni}}^{2+}$ and ${\mathrm{Nb}}^{5+}$ exhibits 1:2 ordering and Ni ions (spin 1) are arranged on a triangular lattice, and orthorhombic crystals of the form ${\mathrm{CaBO}}_3$ where B site is occupied randomly by 1/3 Ni and 2/3 Nb. Low-temperature specific heat and low-field magnetization on these crystal modifications revealed contrasting ground states. In B-site ordered ${\mathrm{Ca}}_3{\mathrm{NiNb}}_2{\mathrm{O}}_9$, the Ni spins undergo two successive phase transitions at ${\mathrm{T}}_{{\mathrm{N}}_1}=4.6\mathrm{K}$ and ${\mathrm{T}}_{{\mathrm{N}}_2}=4.2\mathrm{K}$. The magnetic propagation vector below ${\mathrm{T}}_{{\mathrm{N}}_2}$ is found to be $\vec{k}=(0,1/3,0)$ confirming the ${120}^{\circ }$ spin structure. The high-field magnetization reveals the presence of plateaus characteristic of TLAFs. In contrast, the orthorhombic ${\mathrm{CaBO}}_3$ crystals exhibit a spin-glass-like ground state.

The kagome superconductors ${\mathrm{KV}}_3{\mathrm{Sb}}_5$, ${\mathrm{RbV}}_3{\mathrm{Sb}}_5$, and ${\mathrm{CsV}}_3{\mathrm{Sb}}_5$ are known to display charge density wave (CDW) order which impacts the topological characteristics of their electronic structure. Details of their structural ground states and how they evolve with temperature are revealed here using single crystal x-ray crystallographic refinements as a function of temperature, carried out with synchrotron radiation. The compounds ${\mathrm{KV}}_3{\mathrm{Sb}}_5$ and ${\mathrm{RbV}}_3{\mathrm{Sb}}_5$ present $2\times 2\times 2$ superstructures in the $Fmmm$ space group with a staggered trihexagonal deformation of vanadium layers. ${\mathrm{CsV}}_3{\mathrm{Sb}}_5$ displays more complex structural evolution, whose details have been unravelled by applying machine learning methods to the scattering data. Upon cooling through the CDW transition, ${\mathrm{CsV}}_3{\mathrm{Sb}}_5$ displays a staged progression of ordering from a $2\times 2\times 1$ supercell and a $2\times 2\times 2$ supercell into a final $2\times 2\times 4$ supercell that persists to $T=11$ K and exhibits an average structure where vanadium layers display both trihexagonal and Star of David patterns of deformations. Diffraction from ${\mathrm{CsV}}_3{\mathrm{Sb}}_5$ under pulsed magnetic fields up to ${\mu }_{0}H=28$ T suggest the real component of the CDW state is insensitive to external magnetic fields.

The present paper reports the electronic structure, thermal and electronic transport properties of layered oxychalcogenides $\mathrm{LaAg}X\mathrm{O}$ $(X=\mathrm{Se},\mathrm{Te})$ using density functional theory. Different scattering mechanisms, such as acoustic deformation scattering (ADP), ionized impurity scattering (IMP), and polar optical scattering (POP) are included to calculate the scattering rates at various doping concentrations and temperatures. The calculated scattering rates are used in the Boltzmann transport equation to get the absolute values of thermoelectric coefficients. The Seebeck coefficient of both the compounds is nearly $400 \mu \mathrm{V}/\mathrm{K}$ for optimal $p$-type doping. The lattice thermal conductivity of both $\mathrm{LaAg}X\mathrm{O}$ is ultralow with values around 0.20 W/mK along the “$c$” axis at 300 K due to low lifetime and low group velocity. This is lower than other well-known thermoelectric materials, such as PbTe and SnSe. Rattling motion observed in the Ag-Te tetrahedral layer might be the reason for the significant suppression of ${\kappa }_l$. We predict huge $ZT$ values of 1.63 for $p$-type and 2.8 for $n$-type LaAgTeO at 900 K, which are higher than that of promising thermoelectric materials, such as BiCuSeO (1.4) and LaCuSeO (2.71). There is a crossing in phonon band dispersion which forms a nodal line on the 001 plane that may lead to topological behavior. This study highlights $\mathrm{LaAg}X\mathrm{O}$ as potential thermoelectric materials for future device applications.

Metallic glasses are known to have a remarkably robust yield strength, admitting Weibull moduli as high as for crystalline engineering alloys. However, their postyielding behavior is strongly varying, with large scatter in both flow stress levels and strains at failure. Using x-ray tomography, we reveal how a strain-dependent internal evolution of shear-band cavities underlies this unpredictable postyielding response. We demonstrate how macroscopic strain softening coincides with the first detection of internal shear-band cavitation. Cavity growth during plastic flow is found to follow a power law, which yields a fractal dimension and a roughness exponent in excellent agreement with self-similar surface properties obtained after fracture. These findings demonstrate how internal microcracking coexists with shear-band plasticity along the plastic part of a stress-strain curve, rationalizing the large variability of plastic flow behavior seen for metallic glasses.

Some magnetically ordered phases of the ${\mathrm{Mn}}_5{\mathrm{Si}}_3$ crystal are proving to be prototypes for the study of the new fundamental spin physics related to the spontaneous breaking of the time-reversal symmetry despite a zero net magnetization. Here, we report on a route to grow epitaxial ${\mathrm{Mn}}_5{\mathrm{Si}}_3$ thin films on Si(111). To this end, we use Mn and Si codeposition in a molecular beam epitaxy system and carefully tune the deposition rates, the growth temperature, and the annealing temperature. We assessed the silicide phase-formation and morphology using reflection high-energy electron diffraction, x-ray diffraction, high-resolution transmission electron microscopy (HRTEM) and atomic force microscopy. Layers containing only ${\mathrm{Mn}}_5{\mathrm{Si}}_3$ could be stabilized under very restrictive conditions, by tuning the Mn/Si flux ratio to match the compound stoichiometry and adjusting the substrate temperature during growth to 443 K. HRTEM imaging revealed the existence of an interfacial amorphous layer of few nanometers thickness. Annealing the heterostructure up to 573 K led to the formation of MnSi at the vicinity of the ${\mathrm{Mn}}_5{\mathrm{Si}}_3$/Si(111) interface, which significantly reduced the nucleation barrier of ${\mathrm{Mn}}_5{\mathrm{Si}}_3$. High-quality crystalline ${\mathrm{Mn}}_5{\mathrm{Si}}_3$ thin films were then formed with the following epitaxial relationships: ${\mathrm{Mn}}_5{\mathrm{Si}}_3$(0001)$\left[01\overline{1}0\right]//\mathrm{MnSi}\left(111\right)\left[\overline{2}11\right]//\mathrm{Si}\left(111\right)\left[1\overline{1}0\right]$. Our experiments showed that the formation of MnSi is enhanced at a growth temperature above 473 K or for a longer annealing step, while the crystalline quality of the ${\mathrm{Mn}}_5{\mathrm{Si}}_3$ overlayer is correspondingly degraded leading to textured thin films. The growth pathways and structural properties of the manganese silicides can be rationalized in terms of reactions maximizing the free-energy lowering rate. Moreover, we found that the magnetic and the magnetotransport properties can be used as an efficient tool to track both ${\mathrm{Mn}}_5{\mathrm{Si}}_3$ crystallinity and proportion in the deposited layers.

We investigate the electronic and magnetic properties of the spinel materials $\mathrm{Mg}{\mathrm{Cr}}_2{X}_4$ ($X$ = O, S, Se) and $A{\mathrm{Cr}}_2{\mathrm{S}}_4$ ($A$ = Ca, Sr, Ba), a special type of mono-transition metal spinel material. The magnetic properties of these materials are understood by inspecting the competition between the ${90}^{\circ }$ ferromagnetic superexchange interactions and the antiferromagnetic direct exchange interactions. We found the direct exchange interaction is extremely sensitive to the distance between the Cr ions, $d_{\text{Cr-Cr}}$. The overall magnetic interaction can be transformed from antiferromagnetic at short $d_{\text{Cr-Cr}}$ to ferromagnetic at larger $d_{\text{Cr-Cr}}$. Therefore, we can realize different magnetic states in the same material by controlling the $d_{\text{Cr-Cr}}$ with external strain. Furthermore, the ferromagnetism is strengthened as tensile strain is employed, and a strategy to improve the Curie temperature, which is essential for spintronics devices, is proposed.

Spin-orbit torques (SOTs) from transition metal oxides (TMOs) in conjunction with magnetic materials have recently attracted tremendous attention for realizing high-efficient spintronic devices. ${\mathrm{SrRuO}}_3$ is a promising candidate among TMOs due to its large and tunable SOT efficiency as well as high conductivity and chemical stability. However, a further study for benchmarking the SOT efficiency and realizing SOT-driven magnetization switching in ${\mathrm{SrRuO}}_3$ is still highly desired so far. Here, we systematically study the SOT properties of high-quality ${\mathrm{SrRuO}}_3$ thin film heterostructuring with different magnetic alloys of both IMA and PMA configuration by the harmonic Hall voltage technique. Our results indicate that ${\mathrm{SrRuO}}_3$ possesses pronounced SOT efficiency of about 0.2 at room temperature regardless of the magnetic alloys, which is comparable to typical heavy metals (HMs). Furthermore, we achieve SOT-driven magnetization switching with a low threshold current density of $3.8\times {10}^{10}\mathrm{A}/{\mathrm{m}}^2$, demonstrating the promising potential of ${\mathrm{SrRuO}}_3$ for practical devices. By making a comprehensive comparison with HMs, our work unambiguously benchmarks the SOT properties and concludes the advantages of ${\mathrm{SrRuO}}_3$, which may bring more diverse choices for SOT applications by utilizing hybrid-oxide/metal and all-oxide systems.

Herein we investigated the temperature-induced transformation between distinct layered herringbone (LHB) polymorphs in model organic semiconductors (OSCs) of a series of $2\text{−}\mathrm{mono}\text{−}\mathrm{alkylated}\text{−}\mathrm{benzothieno}\left[3,2\text{−}b\right]\left[1\right]\mathrm{benzothiophenes} \left(mono\text{−}{\mathrm{C}}_n\text{−}\mathrm{BTBTs}\right)$. The component molecules are composed of a one-sided linkage between the BTBT core and alkyl chains of various lengths. We propose that the polymorphism originates from a unique feature of LHB structures in which two types of $T$-shaped contacts are possible for BTBT cores that exhibit relatively low symmetry. Based on polarized UV-visible absorption spectra and powder x-ray diffraction analyses, we show that four long-alkylated $mono\text{−}{\mathrm{C}}_n\text{−}\mathrm{BTBTs}$ ($n=8$, 9, 10, and 11) undergo mostly irreversible structural phase transformations into short-chain-type polymorphs at elevated temperatures of approximately $85-100{}^{\circ }\mathrm{C}$. These transformations allowed the investigation of the stability of each polymorph in terms of thermal analysis. Based on the chain-length dependent transition entropies, we demonstrate that the polymorphic transformations are triggered by the partial entropy gain of alkyl chains, followed by the total entropy gain at solid–liquid transitions observed at higher temperatures of approximately $110{}^{\circ }\mathrm{C}$. We also analyzed the structure and intermolecular interactions of the four compounds. The results confirm that each molecular packing consists of a balance between the core–core and chain–chain interactions and also that the unique odd–even parity alkyl-chain-length effect of the transitions emerges as a result of the variation in interlayer stacking arrangements. We highlight the critical role of alkyl chains in terms of their large structural degrees of freedom in solution-processable and highly layered crystalline OSCs. These findings lead to a better understanding of molecular packing toward a more rational design of OSCs for efficient carrier transport.

High entropy alloys (HEAs) represent highly promising multicomponent crystals that form concentrated solid solutions (CSSs) and may violate traditional thermodynamic rules of mixing, ultimately leading to excellent physical properties. For a deeper understanding, we investigate seven CSSs, including Co-Cr-Ni-Fe-Mn elements, at experimentally relevant compositions and conditions, through molecular simulations, and we use 1-1 comparisons to corresponding glass state characteristics, attained through rapid cooling protocols. We determine the behavior of various structural features, including the configurational entropy for a set of CSSs in their crystalline and vitreous states numerically. We employ swap Monte Carlo (MC) simulations, in combination with the reversible scaling method, to efficiently compute the configurational entropy ($S_{\text{conf}}$), and show that the entropic rule of mixing is not always adequate for predicting alloy formation. We study the stability and formability of crystalline solid solutions, as well as glasses, while following the thermodynamics of $S_{\text{conf}}$. An apparent entropic similarity between CSSs and corresponding glasses leads us to use a Kauzmann-like ansatz, relating the CSSs at $S_{\text{conf}}\to 0$ with the emergence of a CSS order-disorder transition, at temperature $T_{OD}$. In the context of glasses, a comparison between kinetic and thermodynamic fragilities allows the association of sluggish diffusion onset to a drop in $S_{\text{conf}}$ at $T_K$. Analogously, we classify CSSs as “strong” or “fragile” in the sense of their ability to migrate across CSS crystal configurations at high temperatures, distinguishing its formability. We argue that the magnitude of $T_{OD}$ may be an excellent predictor of CSS single-phase stability, which appears to scale with well-known HEA predictors, in particular we notice that VEC and $T_{OD}$ have in relation to the others a significantly large Pearson correlation coefficient, much larger than most other observables (except $\mathrm{\Delta }{H}_{\text{mix}}$).