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JARVIS-DFT in Duaer

In Duaer: NIST JARVIS-DFT computed materials with band gap, formation energy, energy above hull, space group, and 2D or 3D dimensionality. One successful search uses 1 credit.

What you get

Duaer JARVIS-DFT searches the NIST JARVIS-DFT database, which includes many 2D materials. Rows carry key computed properties directly, so an agent can compare candidates without opening each page.

Pick Duaer Data → JARVIS-DFT in the node creator, or open the data market. Related: Materials Project, NOMAD, Crystal structures (COD).

When to use it

Compare band gaps and stability of candidate semiconductors or 2D materials.
Screen a composition for the most stable phase (lowest energy above hull).

When not to use it

Measured crystal data. Use Crystal structures (COD).
Exact experimental band gaps. DFT (OptB88vdW) tends to underestimate them; mbjBandGapEv is closer when present.

Search on the canvas

Open the node creator and pick Duaer Data → JARVIS-DFT.
Fill Formula (such as MoS2). Optional: Elements.
Limit defaults to 10, max 20. Execute.

A search uses 1 credit only when it returns rows. No rows, wrong input, or an upstream failure uses 0.

Call the API

GET https://api.duaer.com/v1/data/jarvis?formula=MoS2
Authorization: Bearer <Duaer key>

The call skill below matches Copy skill in the Duaer data market, with parameters, examples, and result fields.

Call skill

Same text as Copy skill.

---
name: duaer-jarvis
description: >-
  Duaer JARVIS-DFT. NIST JARVIS-DFT computed materials with band gap, formation energy, energy above hull, space group, and 2D or 3D dimensionality.
  One successful search uses 1 Duaer credit.
---

# Duaer JARVIS-DFT

Duaer JARVIS-DFT searches the NIST JARVIS-DFT database, which includes many 2D materials. Rows carry key computed properties directly, so an agent can compare candidates without opening each page.

## When to use

- Compare band gaps and stability of candidate semiconductors or 2D materials.
- Screen a composition for the most stable phase (lowest energy above hull).

## When not to use

- Measured crystal data. Use https://skills.duaer.com/cod.md.
- Exact experimental band gaps. DFT (OptB88vdW) tends to underestimate them; mbjBandGapEv is closer when present.

## Call

`GET https://api.duaer.com/v1/data/jarvis?formula=MoS2`

Header: `Authorization: Bearer <Duaer key>`

Use an account key or a model API key.

Get a Duaer key: https://skills.duaer.com/keys.md

## Parameters

Provide `formula` or `elements`.

- `formula` — Formula such as MoS2. Matches the reduced formula.
- `elements` — Optional. Materials that contain all of these, such as Mo,S.
- `limit` — Optional. Rows to return, from 1 to 20. Default 10.

## Examples

- `GET https://api.duaer.com/v1/data/jarvis?formula=MoS2` — MoS2 phases, bulk and 2D.
- `GET https://api.duaer.com/v1/data/jarvis?elements=Ga,N` — gallium nitride and related entries.

## Result

The response is `{ "items": [...] }`. Each item has `source`, `title`, `url`, and `summary`, plus:

- `jarvisId` — JARVIS id, such as JVASP-664.
- `formula`, `elements` — composition.
- `spaceGroup`, `crystalSystem`, `dimensionality` — symmetry and 3D or 2D.
- `bandGapEv`, `mbjBandGapEv` — OptB88vdW and TBmBJ band gaps in eV.
- `formationEnergyEvPerAtom`, `energyAboveHullEv` — stability in eV per atom.
- `bulkModulusGpa`, `densityGcm3`, `sites` — other properties when computed.

Fields without a value are left out.

## Credits

A search that returns at least one row uses 1 credit.
An empty search, a search that finds nothing, or a failed search uses 0.
Wrong input returns 400 with a message and uses 0.
No remaining credits returns 402 and does not search.
A missing key returns 401.

## Related

- https://skills.duaer.com/materials-project.md — Duaer Materials Project
- https://skills.duaer.com/nomad.md — Duaer NOMAD
- https://skills.duaer.com/cod.md — Duaer Crystal structures (COD)

Questions

How many credits does a JARVIS-DFT search use in Duaer?

One credit when Duaer returns rows. A search with no rows or an error uses 0.

Why are some Duaer JARVIS fields missing?

JARVIS did not compute every property for every material. Duaer leaves those fields out instead of showing placeholders.

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