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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Bibliographic Details
Published in:Scientific data 2017-10, Vol.4 (1), p.170162-170162, Article 170162
Main Authors: Kim, George, Meschel, S. V., Nash, Philip, Chen, Wei
Format: Article
Language:English
Subjects:
639/301
639/301/930
639/638/440/951
Calorimetry
Data Descriptor
Datasets
Enthalpy
Humanities and Social Sciences
Inorganic compounds
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Intermetallic compounds
multidisciplinary
Science
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Summary: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. Design Type(s) data integration objective Measurement Type(s) standard enthalpy of formation Technology Type(s) synthesis method • analytical solution calorimetry • isothermal calorimetry Factor Type(s) protocol Machine-accessible metadata file describing the reported data (ISA-Tab format)
ISSN:2052-4463
2052-4463
DOI:10.1038/sdata.2017.162