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
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
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
Description
Related Projects
- Bio-inspired sulphide nanocatalysts: From proof of concept to 'real' catalysis (01/01/2015 - 31/10/2017)
- Integrated computational solutions for catalysis (01/04/2015 - 30/11/2019)
- Nucleation and growth of iron sulphides: Linking theory and experiment (01/01/2015 - 30/06/2016)