MPDS API

Name: MPDS API
Brand: MPDS API
Availability: InStock

✓ Official Vendor SpecData EnrichmentData TransformationapiKey4 EndpointsREST

For Agents

Query the curated MPDS materials science database for crystal structures, phase diagrams, and physical properties, returning experimentally validated entries with literature provenance.

Install Jentic One Beta

Connect the MPDS API to your agent

Jentic One is a self-hosted execution layer for AI agents. It lets your agent call the MPDS API, or any other public or private API you need. You set the rules, the agent never sees your credentials, and every call is logged.

Two steps, two machines. Install the instance in a safe environment, then register your agent from wherever it runs.

Step 1: Jentic One Host machine

# On the machine that will host your Jentic One instance:
curl -fsSL https://raw.githubusercontent.com/jentic/jentic-one/main/tools/install.sh | sh

Step 2: Agent machine

# On the machine where your agent runs (keep this separate from the instance):
curl -fsSL https://raw.githubusercontent.com/jentic/jentic-one/main/tools/install.sh | sh
jentic register       # connects your agent to your Jentic One instance

Jentic One is in public beta. The setup above keeps your agent separate from the instance, which is what you want before using real credentials: an agent running as the same OS user as Jentic One can read its stored keys directly. Just evaluating? A single local install is fine to start. See the secure deployment guide for the tiers.

Capabilities

What an agent can do with MPDS API.

Run faceted search across the MPDS database with element, property, and class filters via GET /search/facet

Retrieve a phase diagram entry by its phase_id via GET /search/phase_id/{phaseId}

Fetch a single curated entry — structure, property, or reference — by entryId via GET /search/entry/{entryId}

GET STARTED

Start building with MPDS API

Explore with Jentic

View OpenAPI Document

Use Cases

Patterns agents use MPDS API for, with concrete tasks.

★ Build a Curated Training Set for Materials ML

Materials informatics teams pull experimentally measured property values — band gaps, formation enthalpies, lattice parameters — from MPDS to train predictive models on data with provenance, not first-principles guesses. The faceted search endpoint filters by element set, property type, and structural class so a clean dataset can be assembled without scraping primary literature.

Call GET /search/facet with elements set to {Ga, As, In, P} and property = 'band gap', then for each hit call GET /search/entry/{entryId} to extract the measured value and citation.

Phase Diagram Lookup for Alloy Design

Alloy design and metallurgy teams need experimentally constructed phase diagrams to choose composition windows that avoid brittle intermetallic phases. MPDS exposes binary, ternary, and higher phase diagrams indexed by phase_id. Retrieving the diagram with /search/phase_id/{phaseId} returns the equilibrium phases, transition temperatures, and source references in one call.

Find the Fe-Cr binary phase diagram by calling GET /search/facet with elements = 'Fe,Cr' and class = 'phase diagram', then GET /search/phase_id/{phaseId} on the matching id.

Bulk Crystal Structure Download for DFT Pipelines

Computational chemists feed thousands of experimentally observed crystal structures into DFT or molecular dynamics pipelines. The /download/s/{dataType} endpoint returns curated structure sets in batch, removing the need to iterate per-entry. A typical project pulls all cubic perovskite structures in one bulk call before running calculations.

Call GET /download/s/structures with a filter for cubic perovskite class and persist the returned CIF archive to local storage.

Agent-Driven Literature-Backed Property Lookup

An AI research assistant answers a chemist's question — 'what is the measured melting point of TiB2?' — by searching MPDS through Jentic, retrieving the matching entry, and returning the value with its peer-reviewed citation. The four-endpoint surface is small enough that the agent reliably picks /search/facet for discovery and /search/entry/{entryId} for the property value.

Search Jentic for 'find experimental property in mpds', load the facet schema, query for {TiB2, melting point}, and return the value plus literature reference from /search/entry/{entryId}.

Key Endpoints

4 endpoints — the materials platform for data science (mpds) api exposes the curated pauling file materials database — crystal structures, phase diagrams, physical properties, and the underlying scientific literature references — as a programmatic feed.

METHOD

PATH

DESCRIPTION

GET

/search/facet

Run faceted search across the MPDS catalogue

GET

/search/phase_id/{phaseId}

Retrieve a phase diagram by phase_id

GET

/search/entry/{entryId}

Fetch a single curated entry by entryId

GET

/download/s/{dataType}

Bulk download structures or properties by data type

GET

/search/facet

Run faceted search across the MPDS catalogue

GET

/search/phase_id/{phaseId}

Retrieve a phase diagram by phase_id

GET

/search/entry/{entryId}

Fetch a single curated entry by entryId

GET

/download/s/{dataType}

Bulk download structures or properties by data type

Why Jentic?

Three things that make agents converge on Jentic-routed access.

Credential isolation

The MPDS API key is held in the encrypted Jentic vault and injected into the Key header at execution time. The agent only sees a scoped session token — the raw API key never enters prompt context.

Intent-based discovery

Agents search Jentic with intents like 'find a binary phase diagram' and Jentic surfaces the four MPDS operations with their facet, phase_id, entry, and download schemas, hiding the PAULING FILE schema names from the agent.

Time to first call

Direct MPDS integration: a day to learn the facet syntax and entry id model. Through Jentic: under 30 minutes for an agent to run a first faceted query and pull a curated entry.

FAQs

Specific to using MPDS API through Jentic.

What authentication does the MPDS API use?

The MPDS API uses an API key passed in the Key request header. Through Jentic the key is stored encrypted in the vault and the agent calls the operation without ever holding the raw secret.

Can I download crystal structures in bulk?

Yes. GET /download/s/{dataType} returns a batched archive for the selected data type — for example structures or phase diagrams — instead of paging through /search/entry/{entryId} one record at a time.

What are the rate limits for the MPDS API?

MPDS enforces per-account quotas tied to your subscription class and applies short-window throttling on /search/facet and /download/s endpoints. Run heavy enumerations against /download/s rather than scripting many /search/entry calls to stay inside quota.

How do I fetch a phase diagram through Jentic?

Search Jentic for 'find a binary phase diagram', load the search/facet schema, run a faceted search with the two element symbols and class = 'phase diagram', then call GET /search/phase_id/{phaseId} on the matching id.

Is the MPDS API free?

No. MPDS data is curated commercially. A limited evaluation tier exists but production use requires an MPDS subscription with corresponding API quota.

Does every entry come with a literature reference?

Yes. MPDS records originate from the PAULING FILE corpus, so /search/entry/{entryId} returns the source citation for the value, which is what makes the dataset suitable for provenance-sensitive workflows like regulatory submissions and ML training.