Data for "Element selection for functional materials discovery by integrated machine learning of atomic contributions to properties"

1613 8 6226 4 22391 document 6226 PhaseSelect_data.tar application/x-tar 903b62fa0b1527da748682c1b2caa0a2 MD5 28121600 2022-01-28 12:38:04 https://datacat.liverpool.ac.uk/1613/1/PhaseSelect_data.tar 1613 1 1 application/x-tar other Packed collection of datafiles: training and testing datasets en public cc_by_4

PhaseSelect_data.tar

full_archive archive 24249 staging/00/00/16/13 2022-01-31 18:20:09 2022-01-31 18:20:09 2022-01-31 18:20:09 data_collection show Vasylenko Andrij 495914 Data for "Element selection for functional materials discovery by integrated machine learning of atomic contributions to properties" dep_psci Superconducting, magnetic, energy band gap phase fields datasets for training and testing. Collection of the datasets for training phase fields ranking and classification for three target properties: superconducting transition temperature, magnetic transition temperature, energy band gap. Predictions for the unexplored phase ternary phase fields and for the phase fields in ICSD that have not been studied with respect to the target properties. 2022-01-28 University of Liverpool 10.17638/datacat.liverpool.ac.uk/1613 EP/N004884/1 Engineering and Physical Sciences Research Council UK EP/V026887/1 Engineering and Physical Sciences Research Council 115499 Integration of Computation and Experiment for Accelerated Materials Discovery 115501 2015-09-01 2020-08-31 163868/9 Digital navigation of chemical space for function 2021-12-01 2026-11-30 English The data does not have access limitations