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://jentic.com/install.sh?src=apis&api=%2Fapis%2Fmpds.io%2Fmpds" | sh

Step 2: Agent machine

# On the machine where your agent runs (keep this separate from the instance):
curl -fsSL "https://jentic.com/install.sh?src=apis&api=%2Fapis%2Fmpds.io%2Fmpds" | 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}

Download full datasets in CIF, JSON, or other formats by data type via GET /download/s/{dataType}

GET STARTED

Start building with MPDS API

Explore with Jentic One

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?

What agents get from Jentic-routed access to this vendor.

Setup

Wiring MPDS by hand means setting your key in the Key header, targeting the v0 host, and learning the PAULING FILE schema names behind its facet, phase, and entry lookups. Through Jentic you install once, import the MPDS API from the API Directory, store the key once, and your agent calls it.

Permission scoping

This spec is read-only materials retrieval, with phase and entry ids in the URL path, so limit the agent to the operations it needs, such as facet search or fetching one phase or entry. You choose the operations it may call, so it stays within these read lookups.

Credential isolation

Your MPDS API key is stored once, encrypted, by your own Jentic One instance and injected into the Key header at execution time. It never enters the agent's prompt, logs, or context.

Intent-based discovery

Agents search Jentic by intent such as 'find a binary phase diagram', and Jentic returns the matching MPDS operation with its input schema across facet, phase_id, entry, and download, so the agent calls the right endpoint without learning the PAULING FILE schema names.

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.

Can I limit what my agent is allowed to do with the MPDS API?

Yes. Because you run Jentic One yourself, your own rules decide which MPDS operations and which stored API key the agent may use, and the spec is read-only materials retrieval so nothing it calls can modify data. You can allow only the operations a task needs, such as faceted search on GET /search/facet, while withholding phase lookups on GET /search/phase_id/{phaseId}, single-entry reads on GET /search/entry/{entryId}, or bulk exports on GET /download/s/{dataType}. The agent stays inside those read lookups and cannot reach any operation you have not granted.

MPDS API

Name: MPDS API
Brand: MPDS API
Availability: InStock

Official vendor OpenAPI document · agent-readyData 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.

Use for: I need to find all known crystal structures for binary intermetallic compounds, Retrieve the phase diagram for the Cu-Zn system, Get the entry record for a specific MPDS phaseId, Search for compounds with a measured Curie temperature above 500K

Not supported: Does not handle DFT calculation submission, lab notebook capture, or chemical synthesis planning - use for retrieving curated MPDS materials data only.

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. Materials scientists and machine learning teams use it to assemble training datasets and to retrieve experimentally validated property values without manual literature review. The API has four endpoints covering faceted search, phase-id and entry-id retrieval, and bulk download of structured data.

Jentic One on Github View OpenAPI Document