Title: Thermodynamic properties of FeS polymorphs


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


This data is not currently available because: Intent to publish project results


Access Rights: Data can be made freely available subject to attribution

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

DOI URL: http://doi.org/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


Related Projects

Last updated on 2022-29-04 at 14:41