d8489cdb-c842-3ef5-e054-002128a47908 English nonGeographicDataset non geographic dataset British Geological Survey +44 115 936 3100 Environmental Science Centre,Keyworth NOTTINGHAM NOTTINGHAMSHIRE NG12 5GG United Kingdom enquiries@bgs.ac.uk pointOfContact 2026-04-16 UK GEMINI 2.3 http://data.bgs.ac.uk/id/dataHolding/13607909 Potassium in the Earth’s core (NERC Grant NE/R000425/1) 2022-01-20 creation http://data.bgs.ac.uk/id/dataHolding/13607909 This dataset contains VASP runs performed on several supercomputing services (Monsoon and ARCHER, and their successors Monsoon2 and ARCHER2) to calculate the chemical potentials of potassium in liquid iron mixtures and in liquid and solid silicate mixtures, and their distribution in the Earth’s core using density functional theory. Data are available for the chemical potentials of potassium and various other elements in iron and silicate liquid mixtures. These data were used to calculate chemical equilibrium between liquid iron alloys and Earth’s mantle materials. The present grant also supported work regarding the Si composition and thermal history of Earth’s liquid core. Results from VASP runs are also included in the uploaded dataset. Prof Dario Alfe University College London Earth Sciences Kathleen Lonsdale Building, Gower Street London WWC1E 6BT not available principalInvestigator Dr Monica Pozzo University College London Earth Sciences Kathleen Lonsdale Building, Gower Street London WC1E 6BT not available originator Enquiries British Geological Survey United Kingdom not available distributor Enquiries British Geological Survey United Kingdom not available pointOfContact notApplicable https://resources.bgs.ac.uk/images/geonetworkThumbs/d8489cdb-c842-3ef5-e054-002128a47908.png Geology GEMET - INSPIRE themes, version 1.0 2008-06-01 publication Potassium Earth core BGS Thesaurus of Geosciences 2022 revision NGDC Deposited Data dataCentre NERC_DDC otherRestrictions licenceOGL Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]" otherRestrictions The copyright of materials derived from the British Geological Survey's work is vested in the Natural Environment Research Council [NERC]. No part of this work may be reproduced or transmitted in any form or by any means, or stored in a retrieval system of any nature, without the prior permission of the copyright holder, via the BGS Intellectual Property Rights Manager. Use by customers of information provided by the BGS, is at the customer's own risk. In view of the disparate sources of information at BGS's disposal, including such material donated to BGS, that BGS accepts in good faith as being accurate, the Natural Environment Research Council (NERC) gives no warranty, expressed or implied, as to the quality or accuracy of the information supplied, or to the information's suitability for any use. NERC/BGS accepts no liability whatever in respect of loss, damage, injury or other occurence however caused. Available under the Open Government Licence subject to the following acknowledgement accompanying the reproduced NERC materials "Contains NERC materials ©NERC [year]" English geoscientificInformation 2018-10-01 2022-01-10 Archive (TGZ) witheld Enquiries British Geological Survey United Kingdom not available distributor https://doi.org/10.1016/j.epsl.2018.11.019 WWW:LINK-1.0-http--related Published Paper information https://doi.org/10.1103/PhysRevX.9.041018 WWW:LINK-1.0-http--related Published Paper information https://doi.org/10.1016/j.epsl.2020.116208 WWW:LINK-1.0-http--related Published Paper information https://doi.org/10.1038/s41467-020-18003-9 WWW:LINK-1.0-http--related Published Paper information https://doi.org/10.1103/PhysRevMaterials.4.124002 WWW:LINK-1.0-http--related Published Paper information https://doi.org/10.1039/D0SC03734F WWW:LINK-1.0-http--related Published Paper information https://doi.org/10.1021/acs.jpcc.1c02327 WWW:LINK-1.0-http--related Published Paper information https://doi.org/10.1038/s41598-021-94349-4 WWW:LINK-1.0-http--related Published Paper information https://webapps.bgs.ac.uk/services/ngdc/accessions/index.html#item171734 WWW:DOWNLOAD-1.0-http--download Data download nonGeographicDataset non geographic dataset INSPIRE Implementing rules laying down technical arrangements for the interoperability and harmonisation of Geology 2011 publication See the referenced specification false Commission Regulation (EU) No 1089/2010 of 23 November 2010 implementing Directive 2007/2/EC of the European Parliament and of the Council as regards interoperability of spatial data sets and services 2010-12-08 publication See http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2010:323:0011:0102:EN:PDF false Input files for the VASP runs on ARCHER, ARCHER2, Monsoon and Monsoon2 were prepared locally. VASP runs were performed on the supercomputing services and then securely copied locally for the final processing and the creation of figures for publication in several peer-reviewed international journals.