Data Standards

This section documents the data convention, JSON schemas, and structured data representations used across the Mat3ra platform.

Other documentation sites

For step-by-step tutorials and platform walkthroughs, see the Platform Guide. For explanations of underlying concepts, see Concepts & Reference. For REST API documentation, see the Developers site.

Overview & Convention

The ESSE Data Convention defines how structured data is organized and stored in JSON format across the platform.

• Structured Data — introduction to structured data storage
• Convention — JSON format, schemas, and examples
• Data Classification — how data is categorized
• Data Lifecycle — stages of data from creation to archival

Entity Schemas

JSON schemas and examples for each platform entity type.

• General Entity — common fields shared by all entities
• Materials — crystal structure representations
• Jobs — computational job data
• Workflows — workflow, subworkflow, and unit schemas
• Models — model parameter schemas
• Methods — method schemas
• Software — application, executable, and flavor schemas

Property Schemas

Schemas for material and simulation properties.

• Overview — property data structure
• Core Types — primitive and abstract schema types
• Full List — all property schemas with examples
• Periodic Table — element-level property data

Entity Directories

Detailed schemas for specific model, method, and software implementations.

• Models: DFT, Machine Learning
• Methods: Pseudopotential, Linear Regression
• Software: VASP, Quantum ESPRESSO, Python, Shell, JupyterLab