The Hafnium-Platinum Phase Diagram

Stalick, Judith K.; Waterstrat, R.M.

doi:10.1007/s11669-013-0268-4

Cited by 19 publications

(7 citation statements)

References 17 publications

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“…[68]. Only 6 compounds of this prototype have been reported in transition metal binary systems: Ni 4 Ti 3 [69,70], Pd 4 Y 3 [71], Pd 4 Zr 3 [72], Pt 4 Zr 3 [73], Rh 4 Zr 3 [74], and most recently Hf 3 Pt 4 [75]. In these compounds, one component is a 3B or 4B element and the other is from the ninth or tenth column of the periodic table.…”

Section: Synergy Of Experimental and Calculation Data On A Rare Proto...mentioning

confidence: 99%

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

Taylor

Rose

Toher

et al. 2014

Computational Materials Science

166

210

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The continued advancement of science depends on shared and reproducible data. In the field of computational materials science and rational materials design this entails the construction of large open databases of materials properties. To this end, an Application Program Interface (API) following REST principles is introduced for the AFLOWLIB.org materials data repositories consortium. AUIDs (Aflowlib Unique IDentifier) and AURLs (Aflowlib Uniform Resource Locator) are assigned to the database resources according to a well-defined protocol described herein, which enables the client to access, through appropriate queries, the desired data for post-processing. This introduces a new level of openness into the AFLOWLIB repository, allowing the community to construct highlevel work-flows and tools exploiting its rich data set of calculated structural, thermodynamic, and electronic properties. Furthermore, federating these tools will open the door to collaborative investigations of unprecedented scope that will dramatically accelerate the advancement of computational materials design and development.

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Section: Synergy Of Experimental and Calculation Data On A Rare Proto...mentioning

confidence: 99%

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

Taylor

Rose

Toher

et al. 2014

Computational Materials Science

166

210

View full text Add to dashboard Cite

show abstract

“…Such simulations would be an invaluable extension to this work; however, the necessary tools to accomplish them on a similarly large scale are not yet mature. Note added in proof.-While this paper was being prepared for publication, a new experimental study identified the new compound Hf 3 Pt 4 , of prototype Pd 4 Pu 3 [63]. Our calculations show that this structure is metastable in the HfPt system, at 19 meV/atom above the convex hull, as well as in the HfPd and PdZr systems.…”

Section: Discussionmentioning

confidence: 82%

Computational Materials Discovery Goes Platinum

Fornari¹

2013

Physics

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We report a comprehensive study of the binary systems of the platinum-group metals with the transition metals, using high-throughput first-principles calculations. These computations predict stability of new compounds in 28 binary systems where no compounds have been reported in the literature experimentally and a few dozen of as-yet unreported compounds in additional systems. Our calculations also identify stable structures at compound compositions that have been previously reported without detailed structural data and indicate that some experimentally reported compounds may actually be unstable at low temperatures. With these results, we construct enhanced structure maps for the binary alloys of platinum-group metals. These maps are much more complete, systematic, and predictive than those based on empirical results alone.

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“…Here, we focused on the alloy systems consisting of only transition metals. In this review, the binary alloy systems were classified into six groups according to the type of bulk phase diagram as follows. Class 1 consists only of intermetallic phases; class 2 covers both intermetallic phases and solid‐solution phases (at least more than 10 at % of solid‐solution phases at 1000 °C); class 3 is mostly solid‐solution phases (more than 70 at % at 1000 °C); class 4 is all‐proportional solid solutions; class 5 is partly solid‐solution phases (less than 70 at % at 1000 °C), and class 6 covers completely immiscible systems.…”

Section: Pgm‐based Binary Alloy Systemsmentioning

confidence: 99%

New Aspects of Platinum Group Metal‐Based Solid‐Solution Alloy Nanoparticles: Binary to High‐Entropy Alloys

Kusada

Kitagawa

2020

Chemistry A European J

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with any combination and composition is not an easy task owing to the metallurgicala spects. In this minireview,t he focus is on recent advances in PGM-based solid-solution alloy NPs, andi np articular those with immiscible alloy systems. Concepts, synthesis, and properties of the alloy NPs are introduced, and the existing challenges and future perspectives are discussed.[a] Dr. Figure 2. The number of papers including the keywords "PGM-M" or "M-PGM", which means PGM-based binaryalloy systems (where PGMorMis the atomic symbol of aP GM element or acounterpart of the alloy system) such as "Ru-Sc" or "Sc-Ru",and "nano" through the Web of Science,and the periodic table of the elementsi ndicating the type of alloy system classified into six groups, as follows: class 1( yellow)c onsists of only intermetallic phases;class 2( green) covers bothintermetallic and solid-solutionp hases (at least morethan 10 at %o fs olid-solution phases at 1000 8C);class 3( purple) is mostly solid-solution phases (more than 70 at %a t1 000 8C);class 4( blue) is all-proportional solid solutions;class 5( pink) is partly solid-solution phases( less than 70 at %a t 1000 8C);and class 6( red) is completely immiscible, and unknown (gray). a) Ru, b) Os, c) Rh,d)Ir, e) Pd, f) Pt.

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The Hafnium-Platinum Phase Diagram

Cited by 19 publications

References 17 publications

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

A RESTful API for exchanging materials data in the AFLOWLIB.org consortium

Computational Materials Discovery Goes Platinum

New Aspects of Platinum Group Metal‐Based Solid‐Solution Alloy Nanoparticles: Binary to High‐Entropy Alloys

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