NIMS will make its inorganic materials database, "AtomWork-Adv" (pronounced "atom work advanced"), available to the general public as a fee-based service starting Monday, May 28, 2018. This service will be provided by the Data Platform (Yibin Xu, Director) from the Center for Materials Research by Information Integration (CMI2), Research and Services Division of the Materials Data and Integrated System (MaDIS), NIMS. AtomWork-Adv markedly improves upon the amount of data available and the usability of the current web-based "AtomWork" database. We hope that this service will promote data-driven materials development using AI and machine learning.
The increasingly popular use of AI and machine learning in materials development requires a high-quality materials database. NIMS publicized the AtomWork inorganic materials database --constructed using literature published up to 2002-- on its MatNavi webpage. While AtomWork is available free of charge, the data it contains is not updated and its functions, such as allowing users to copy, download and search data, are limited.
The AtomWork-Adv database compiles crystal structure data (approx. 274,000 datasets), X-ray diffraction data (approx. 496,000 datasets), material properties data (approx. 298,000 datasets) and phase diagram data (approx. 40,000 datasets) collected from literature published up to 2014. The number of datasets in these categories are about three to five times greater than those in the Atom Work database. In addition, AtomWork-Adv is equipped with user-friendly functions, such as a versatile search tool which enables searches by element, composition, crystal structure and material property, a matrix function which identifies the number of datasets available for a specific binary material combination and an automatic charting function which allows the plotting of a graph between two material property variables and which displays material names in relation to these variables. Users can download data for use in data science-driven materials research and development (the number of downloads is restricted).
Data will be continuously added to and updated in the fee-based AtomWork-Adv database. We are planning to add new data collected from literature between 2015 and 2016 to the database during FY2018.
This database project was supported by the "Materials Research by Information Integration" Initiative (MI2I) sponsored by the Japan Science and Technology Agency (JST)'s Support Program for Starting up Innovation Hub.
For more details, please visit the AtomWork-Adv website. (Scheduled to be released May 28, 2018.)
(Regarding the AtomWork-Adv database)
Data Platform Group (Yibin Xu, Director)
Center for Materials Research by Information Integration (CMI2)
Research and Services Division of the Materials Data and Integrated System (MaDIS)
National Institute for Materials Science