Duaer

Get started

NOMAD in Duaer

In Duaer: Materials simulation entries in the NOMAD repository by formula, elements, and simulation code: method, calculation type, program, author, and upload date. One successful search uses 1 credit.

What you get

Duaer NOMAD searches the NOMAD repository of raw and processed materials simulations (DFT and more), newest uploads first. Use it to find existing calculations before running your own.

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

When to use it

  • Check whether someone already published a VASP or Quantum Espresso run for a system.
  • Find recent simulation uploads for a composition.

When not to use it

Search on the canvas

  1. Open the node creator and pick Duaer Data → NOMAD.
  2. Fill Formula (such as GaN). Optional: Elements, Program.
  3. 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/nomad?formula=GaN&program=VASP
  • 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-nomad
description: >-
  Duaer NOMAD. Materials simulation entries in the NOMAD repository by formula, elements, and simulation code: method, calculation type, program, author, and upload date.
  One successful search uses 1 Duaer credit.
---

# Duaer NOMAD

Duaer NOMAD searches the NOMAD repository of raw and processed materials simulations (DFT and more), newest uploads first. Use it to find existing calculations before running your own.

## When to use

- Check whether someone already published a VASP or Quantum Espresso run for a system.
- Find recent simulation uploads for a composition.

## When not to use

- A curated property table. Use https://skills.duaer.com/jarvis.md or https://skills.duaer.com/materials-project.md.
- Experimental structures. Use https://skills.duaer.com/cod.md.

## Call

`GET https://api.duaer.com/v1/data/nomad?formula=GaN&program=VASP`

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 GaN. Matches the reduced formula.
- `elements` — Optional. Entries that contain all of these, such as Ga,N.
- `program` — Optional. Simulation code, such as VASP or Quantum Espresso.
- `limit` — Optional. Rows to return, from 1 to 20. Default 10.

## Examples

- `GET https://api.duaer.com/v1/data/nomad?formula=GaN&program=VASP` — GaN runs made with VASP.
- `GET https://api.duaer.com/v1/data/nomad?elements=Si,O&limit=5` — latest silicon-oxygen entries.

## Result

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

- `entryId`, `uploadId` — NOMAD ids.
- `formula`, `elements`, `structuralType` — composition and bulk, surface, or molecule.
- `method`, `calculation`, `program` — such as DFT, GeometryOptimization, VASP.
- `author`, `uploaded` — origin and upload date.
- `reference` — first external reference, when present.

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/jarvis.md — Duaer JARVIS-DFT
- https://skills.duaer.com/materials-project.md — Duaer Materials Project

Questions

How many credits does a NOMAD search use in Duaer?

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

How are Duaer NOMAD results ordered?

Newest uploads first, so recent calculations appear at the top.

In this section

Get started

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.

Get started

Materials Project in Duaer

In Duaer: Computed inorganic materials from the Materials Project by formula or by elements they contain, with material id, formula, elements, and site count. One successful search uses 1 credit.