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Experimental formation enthalpies for intermetallic phases and other inorganic compounds

The standard enthalpy of formation of a compound is the energy associated with the reaction to form the compound from its component elements. The standard enthalpy of formation is a fundamental thermodynamic property that determines its phase stability, which can be coupled with other thermodynamic...

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Autores principales: Kim, George, Meschel, S. V., Nash, Philip, Chen, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5654376/
https://www.ncbi.nlm.nih.gov/pubmed/29064466
http://dx.doi.org/10.1038/sdata.2017.162
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author Kim, George
Meschel, S. V.
Nash, Philip
Chen, Wei
author_facet Kim, George
Meschel, S. V.
Nash, Philip
Chen, Wei
author_sort Kim, George
collection PubMed
description The standard enthalpy of formation of a compound is the energy associated with the reaction to form the compound from its component elements. The standard enthalpy of formation is a fundamental thermodynamic property that determines its phase stability, which can be coupled with other thermodynamic data to calculate phase diagrams. Calorimetry provides the only direct method by which the standard enthalpy of formation is experimentally measured. However, the measurement is often a time and energy intensive process. We present a dataset of enthalpies of formation measured by high-temperature calorimetry. The phases measured in this dataset include intermetallic compounds with transition metal and rare-earth elements, metal borides, metal carbides, and metallic silicides. These measurements were collected from over 50 years of calorimetric experiments. The dataset contains 1,276 entries on experimental enthalpy of formation values and structural information. Most of the entries are for binary compounds but ternary and quaternary compounds are being added as they become available. The dataset also contains predictions of enthalpy of formation from first-principles calculations for comparison.
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spelling pubmed-56543762017-10-30 Experimental formation enthalpies for intermetallic phases and other inorganic compounds Kim, George Meschel, S. V. Nash, Philip Chen, Wei Sci Data Data Descriptor The standard enthalpy of formation of a compound is the energy associated with the reaction to form the compound from its component elements. The standard enthalpy of formation is a fundamental thermodynamic property that determines its phase stability, which can be coupled with other thermodynamic data to calculate phase diagrams. Calorimetry provides the only direct method by which the standard enthalpy of formation is experimentally measured. However, the measurement is often a time and energy intensive process. We present a dataset of enthalpies of formation measured by high-temperature calorimetry. The phases measured in this dataset include intermetallic compounds with transition metal and rare-earth elements, metal borides, metal carbides, and metallic silicides. These measurements were collected from over 50 years of calorimetric experiments. The dataset contains 1,276 entries on experimental enthalpy of formation values and structural information. Most of the entries are for binary compounds but ternary and quaternary compounds are being added as they become available. The dataset also contains predictions of enthalpy of formation from first-principles calculations for comparison. Nature Publishing Group 2017-10-24 /pmc/articles/PMC5654376/ /pubmed/29064466 http://dx.doi.org/10.1038/sdata.2017.162 Text en Copyright © 2017, The Author(s) http://creativecommons.org/licenses/by/4.0/ Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ The Creative Commons Public Domain Dedication waiver http://creativecommons.org/publicdomain/zero/1.0/ applies to the metadata files made available in this article.
spellingShingle Data Descriptor
Kim, George
Meschel, S. V.
Nash, Philip
Chen, Wei
Experimental formation enthalpies for intermetallic phases and other inorganic compounds
title Experimental formation enthalpies for intermetallic phases and other inorganic compounds
title_full Experimental formation enthalpies for intermetallic phases and other inorganic compounds
title_fullStr Experimental formation enthalpies for intermetallic phases and other inorganic compounds
title_full_unstemmed Experimental formation enthalpies for intermetallic phases and other inorganic compounds
title_short Experimental formation enthalpies for intermetallic phases and other inorganic compounds
title_sort experimental formation enthalpies for intermetallic phases and other inorganic compounds
topic Data Descriptor
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5654376/
https://www.ncbi.nlm.nih.gov/pubmed/29064466
http://dx.doi.org/10.1038/sdata.2017.162
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