Release 2025.2.27

Release 2025.2.27

Release 2025.2.27 contains updates and improvements. We highlight (1) a video tutorial on using a web-based Jupyter Lite environment available in our platform and pre-populated with the REST API credentials for easy access, (2) the ability to use Wave.js to visualize 3D structures in Jupyter notebooks similar to ASE or X3D visualizers, (3) the ability to initialize the pseudopotentials with recommended cutoff values in the database.

Feature

• [AX] Video tutorial on using REST API from Jupyter Lite
• [Standata] add Gr Nanoribbon and H-passivated one
• Ability to access pseudopotential cutoff data in workflows
• Update Wave.js to make it usable in Jupyter notebooks for structure visualization

Improvement

• [DOCS] Overview page for specific material tutorials

Bugfixes

• [MD] Fix cloning for added materials
• Fix job Run time NaNs

For Developers

• [AX/Webapp] Add tests for all api-examples in JL in Web-app
• [AX, MD] Test notebooks on GHA
• [AX] Health check tests for Notebooks

Highlight 1: REST-API via Jupyter Lite

We highlight the ability to programmatically create and edit entities via REST API. Here's a quick demonstration:

Highlight 2: using Wave.js for 3D visualization in Jupyter notebooks.

We highlight the ability to do 3D visualization in Jupyter notebooks. Here's a quick demonstration SnO2:

‍

Highlight 3: schemas for recommended cutoff values for pseudopotentials.

Added ability to to store recommended cutoff values in pseudopotentials.

Try the new functionality online at https://platform.mat3ra.com/

‍