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Found 15 result(s)

Materials Project

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The Materials Project produces one of the world's foremost databases of computed information about inorganic, crystalline materials, along with providing powerful web-based apps to help analyze this information to help the design of novel materials. Access is provided free-of-charge with an API available and under a permissive license.

CRYSTMET

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<<<!!!<<< The database is no longer available from 1st July 2018 >>>!!!>>> CRYSTMET was previously included in the NCDS as part of CrystalWorks. Unfortunately we are no longer able to license the CRYSTMET database for access through the NCDS. Therefore the database will no longer be accessible from 1st July 2018. >>>> CRYSTMET contains chemical, crystallographic and bibliographic data together with associated comments regarding experimental details for each study. It is a database of critically evaluated crystallographic data for metals, including alloys, intermetallics and minerals.Using these data, a number of associated files are derived, a major one being a parallel file of calculated powder patterns. These derived data are included within the CRYSTMET product.

NoMaD Repository & Archive

Novel Materials Discovery

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The NOMAD Repository and Archive stands for open access of scientific materials data. It enables the confirmatory analysis of materials data, their reuse, and repurposing. All data is available in their raw format as produced by the underlying code (Repository) and in a common, machine-processable, and well-defined data format (Archive).

MatDB

MatDatabase

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MatDB is a database application for experimentally measured engineering materials data. It supports open, registered, and restricted access. It presently hosts more than 20.000 unique data sets coming mainly from European and Member State research programmes. It supports web interfaces for entering, browsing, and retrieving data. MatDB is also enabled for innovative services, including data citation and interoperability standards. The data citation service relies on DataCite DOIs. The historic data sets are being enabled for citation. For all new projects where MatDB is used for managing project data, end-users are encouraged to request DataCite DOIs. There is though no obligation as regards the access level as it is considered sufficient simply that the data sets are made discoverable through data citation. The service that relies on interoperability standards leverages the outputs from a series of CEN Workshops that aim to deliver Standards-compliant data formats for engineering materials data. In this context, MatDB is used to validate and demonstrate said formats with a view to promoting their adoption. MatDB is part of the ODIN Portal https://odin.jrc.ec.europa.eu/alcor/

Kadi4Mat

Kadi4Mat instance KIT+

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Kadi4Mat instance for use at the Karlsruhe Institute of Technology (KIT) and for cooperations, including the Cluster of Competence for Solid-state Batteries (FestBatt), the Battery Competence Cluster Analytics/Quality Assurance (AQua), and more. Kadi4Mat is the Karlsruhe Data Infrastructure for Materials Science, an open source software for managing research data. It is being developed as part of several research projects at the Institute for Applied Materials - Microstructure Modelling and Simulation (IAM-MMS) of the Karlsruhe Institute of Technology (KIT). The goal of this project is to combine the ability to manage and exchange data, the repository , with the possibility to analyze, visualize and transform said data, the electronic lab notebook (ELN). Kadi4Mat supports a close cooperation between experimenters, theorists and simulators, especially in materials science, to enable the acquisition of new knowledge and the development of novel materials. This is made possible by employing a modular and generic architecture, which allows to cover the specific needs of different scientists, each utilizing unique workflows. At the same time, this opens up the possibility of covering other research disciplines as well.

ColabFit Exchange

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The ColabFit Exchange is an online resource for the discovery, exploration and submission of datasets for data-driven interatomic potential (DDIP) development for materials science and chemistry applications. ColabFit's goal is to increase the Findability, Accessibility, Interoperability, and Reusability (FAIR) of DDIP data by providing convenient access to well-curated and standardized first-principles and experimental datasets. Content on the ColabFit Exchange is open source and freely available.

Inorganic Crystal Structure Database

ICSD Web

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The most comprehensive database on fully determined inorganic crystal structures • Full structural data: cell parameters, atom positions for all entries, displacement parameters • Full bibliographic data: publication title, journal reference(s), author names • Full structure description: Structural formula, compositions, ANX formulae, structure types • High-quality data: extensive data evaluation and correction by senior experts • Web and PC based software solutions, data updated twice a year • 25+ years of serving the scientific community

OpenKIM

Knowledgebase of Interatomic Models

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OpenKIM is an online suite of open source tools for molecular simulation of materials. These tools help to make molecular simulation more accessible and more reliable. Within OpenKIM, you will find an online resource for standardized testing and long-term warehousing of interatomic models and data, and an application programming interface (API) standard for coupling atomistic simulation codes and interatomic potential subroutines.

Materials Cloud Archive

Materials Cloud

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FAIR & long-term storage of research data from computational materials science, or from experimental materials science that is of relevance to simulations. Complementary tools available to explore the full provenance of the calculations and to perform simulations or data analytics in the cloud.

MPDS

Materials Platform for Data Science

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Online materials database (known as PAULING FILE project) with nearly 2 million entries: physical properties, crystal structures, phase diagrams, available via API, ready for modern data-intensive applications. The source of these entries are about 0.5M peer-reviewed publications in materials science, processed during the last 30 years by an international team of PhD editors. The results are presented online with a quick search interface. The basic access is provided for free.

Basis Set Exchange

EMSL Basis Set Exchange

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The Basis Set Exchange (BSE) provides a web-based user interface for downloading and uploading Gaussian-type (GTO) basis sets, including effective core potentials (ECPs), from the EMSL Basis Set Library. It provides an improved user interface and capabilities over its predecessor, the EMSL Basis Set Order Form, for exploring the contents of the EMSL Basis Set Library. The popular Basis Set Order Form and underlying Basis Set Library were originally developed by Dr. David Feller and have been available from the EMSL webpages since 1994.

ACEnano

Analytical and Characterisation Excellence in nanomaterial risk assessment

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The ACEnano Knowledge Infrastructure facilitates access and sharing of methodology applied in nanosafety, starting with nanomaterials characterisation protocols developed or optimised within the ACEnano project.

UCL Research Data Repository

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The UCL Research Data Repository is the institutional data repository of University College London. Based on Figshare, it accepts data deposits from UCL staff and doctoral students from all disciplines. Depositors are encouraged to use CC0 licences to make their data available to the widest possible range of users and the widest range of uses.

ThermoML

Representation of Published Experimental Data

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ThermoML presents published experimental data extracted from 5 major journals in the field and links to ThermoML files, which represent experimental thermophysical and thermochemical property data reported in the corresponding articles. At the same time ThermoML is an XML-Based IUPAC Standard for Storage and Exchange of Experimental Thermophysical and Thermochemical Property Data.

SENSOR

SENSOR.awi.de

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<<<!!!<<< This repository is no longer available. >>>!!!>>>