mat-db-optimade
OfficialSearch crystal structures via OPTIMADE
Education & Research#data retrieval#json export#crystal structures#optimaDE#materials databases#structure screening#reproducible queries
Authorlearningmatter-mit
Version1.0.0
Installs0
System Documentation
What problem does it solve?
It helps you find experimental crystal structures in OPTIMADE-compliant materials databases (such as COD and NOMAD) and extract the returned structural data as JSON for downstream analysis.
Core Features & Use Cases
- OPTIMADE query-based retrieval: Fetches structures using OPTIMADE filter expressions against the
structuresendpoint. - Multi-provider aggregation: Supports querying one or more database providers in a single run and flattens results into one JSON array.
- Reproducibility outputs: Saves the query inputs/config alongside the produced results for repeatable investigations.
Quick Start
Run mat-db-optimade to query an OPTIMADE provider for NaCl-related structures and save the results to results.json.
Dependency Matrix
Required Modules
optimade[client]
Components
scriptsreferences
💻 Claude Code Installation
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Please help me install this Skill: Name: mat-db-optimade Download link: https://github.com/learningmatter-mit/AtomisticSkills/archive/main.zip#mat-db-optimade Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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