Explore an enormous amount of materials and their properties that have been computed worldwide

The NOMAD Encyclopedia in a nutshell

Materials theory enhanced by its computational tools is one of the pillars of materials science and engineering. The solution of the quantum-mechanical many-body problem provides valuable information and understanding of processes happening on the atomic and electronic scale.

What is the essential knowledge on the results obtained for the numerous materials and their properties? And how to get access to it? Typically, one can find this information in scientific publications. However, what one can find there, is only a small amount of what has been calculated, it has to be manually inspected, and cannot straightforwardly be used in a different context.

Data repositories, like the NoMaD Repository, are a first step to the solution of this issue. Currently, this repository contains the input and output files of more than three million calculations of a wide range of materials, from metals to semiconductors and insulators, from bulk crystals to surfaces, to low-dimensional systems and nanostructures. Storing this data  in a common place makes it searchable and citable, allows for verification, sharing and repurposing, and helps to avoid doubling of work. Still, the raw data sitting in repositories are neither easy to compare nor easy to comprehend.

The NOMAD Laboratory CoE has already changed this paradigm. It has transformed these data coming from more than 30 different electronic-structure codes to a largely code-independet data archive.

The NOMAD Encyclopedia, a web-based public infrastructure, now provides a materials-oriented view on this data. Whatever property of a given material has been computed, is easily accessible through a user-friendly graphical user interface (GUI). This spans from stuctural features, to mechanical behavior, thermal properties, electronic structure, transport characteristics, and the response to light and other excitations.

Having all this information in one place, gives us an impression about the wealth of available materials data and allows for comparing even very different systems in terms of certain features. The Encyclopedia can guide us which materials to explore next and thus hopefully will lead to the discovery of new materials with optimal properties.

We warmly welcome you to the explore the first edition of our materials search engine. This is a service to the community that will grow and improve over time. Feedback and suggestions are very much appreciated. Enjoy!

  Interested? Visit NOMAD Encyclopedia.


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The grapical user interface provides a materials-oriented view on the NOMAD Archive. It displays all kinds of properties that have been calculated by one ore more authors with one or the other method or code. These comprise structural features and mechanical behavior, as much as thermal properties, electronic structure, transport characteristics and response to light and other excitations. You may find our how one material's properties depend on its geometry and how another system expands with temperature. You may explore how the results obtained with one density functional compare to another one. Many of these features are implemented already, many more will come successively.


Materials & Calculations


Here you find some statistics about the content of the data from the NOMAD Archive that are currently processed by the Encyclopedia. 


with Band Structure:
with DOS:
with Fermi Surface:
with Thermal Properties:


You may also be interested in the number of available caluclations related to the materials and their properties. 


with Band Structure:
with DOS:
with Fermi Surface:
with Thermal Properties:

System types

Currently, we process only bulk properties. Soon, the list of different system types will include also 1D and 2D materials, surfaces, molecules, and nanostructures.


Methodology & codes
What is the most widely used density functional for materials? For the data, included in the Encyclopedia database, you find this information below.