Release 2024.11.14

Overview

Release 2024.11.14 contains updates and UX improvements. We highlight (1) the ability to create a Grain Boundary defect in a bulk materials and/or in a slab, (2) an example demonstration(s) of how to create N-material stacked structures with multiple layered structures assembled together, (3) a demonstration of how to use the Standata Python package to import materials in Python runtime - JupyterLite and/or Pyodide.

Feature

• Grain Boundary creation
• NoteBook: Create Supercell example.
• NB: Monolayer
• NB: Adatom
• NB: Twisted interface
• NBs Part 1:  N-material examples
• NB: Island on a Slab

Improvement

• [MADE] Cleanups critical
• Load from Standata NB

BugFix

• Fix bank workflow infinite loader
• Write tutorial for Defects > Point Defect > Substitution

For Developers

• [STANDATA] add SearchByName function
• [STANDATA] Add TiN

Highlight 1: Ability to Create Grain Boundary defects.

We highlight the addition of the ability to create Grain Boundary defects Here's a quick demonstration - a Copper slab with a (001/111) grain boundary

Highlight 2: Multiple Layers / Stacks for 2D materials.

We highlight the ability to create N-material stacks, with multiple 2D materials placed upon each other. Here's a quick demonstration - MoS2/Graphene/MoS2 - structure.

Highlight 3: Import materials from Standata.

Added ability to to import structures directly from mat3ra-standata package in Python runtime(s). Below is an example usage in a Jupyter notebook.

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

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