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MPDS/PAULING FILE: Largest Inorganic Database fo ... (No replies)

9 months ago
eb 9 months ago

Since 1993 the PAULING FILE project team led by Pierre Villars (Switzerland) manually extracts, cross-checks, annotates, and categorizes the materials data from scientific articles, books, conference proceedings etc. During these years almost 270'000 publications have been processed, and more than 400'000 crystalline structures, about 60'000 phase diagrams and 800'000 physical property sets were collected, interlinked with more than 100'000 distinct materials phases. Now PAULING FILE project is relatively well-known, and there are already thousands of publications referring it (e.g.

Presently we are glad to announce the MPDS, Materials Platform for Data Science, containing all the PAULING FILE data online:

Its graphical user interface (GUI) assists traditional materials research (e.g. super-fast literature analysis and checking of hypotheses). Full functionality is paid, although we also encourage free use.

In addition, we offer an application programming interface (API) for PAULING FILE data. It is known, that the nowadays data-intensive applications are very demanding to the high-quality starting data ("garbage in" means "garbage out"). Further, weak algorithms with more data usually beat better algorithms with less data. Finally, for high-throughput computational studies the robust reference data are crucial. Thus, serious data-mining is also possible over API within the service-level agreement. Please, contact Evgeny Blokhin from Tilde Materials Informatics ([email protected]) for further details.


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Ab initio (from electronic structure) calculation of complex processes in materials