Title: Thermodynamic properties of FeS polymorphs

Citation
Terranova U, de Leeuw NH (2017). Thermodynamic properties of FeS polymorphs. Cardiff University. http://doi.org/10.17035/d.2017.0034767224


This data is not currently available because: Intent to publish project results
Access Method: Click to email a request for this data to opendata@cardiff.ac.uk

Cardiff University Dataset Creators

Dataset Details
Publisher: Cardiff University
Date (year) of data becoming publicly available: 2017
Data format: .dat
DOI: 10.17035/d.2017.0034767224

Description

The dataset was generated during a density functional theory study of the thermodynamics properties of the FeS polymorphs based on the quasi-harmonic theory of lattice vibrations. FeS polymorphs are of significant relevance to condensed matter physics and planetary science. In particular, they are thought to form the cores of Earth and Mars, which is suggested by their presence in many meteorites. Data are plain text files containing the relative volume expansion, molar heat capacity and molar entropy of the FeS phases at different pressures as a function of temperature.

Research results based upon these data are published at https://doi.org/10.1016/j.jpcs.2017.07.033


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Last updated on 2019-23-07 at 08:50