Skills

在 Duaer 里查晶体结构（COD）

在 Duaer 里：按化学式、矿物名或关键词检索晶体学开放数据库（COD）的实验晶体结构：空间群、晶胞参数、年份、文献与 CIF 下载。一次成功查询用 1 额度。

能拿到什么

每条结果含 codId, cifUrl、formula, mineral, chemicalName、spaceGroup, spaceGroupNumber、a, b, c, alpha, beta, gamma, volume 等字段，并附来源链接。

密钥

调用前先获取 Duaer 密钥.

调用技能

下面这段是给智能体复制的英文技能，和数据市场里的复制内容相同。

---
name: duaer-cod
description: >-
  Duaer Crystal structures (COD). Experimental crystal structures from the Crystallography Open Database by formula, mineral, or words: space group, cell lengths, year, paper, and CIF download.
  One successful search uses 1 Duaer credit.
---

# Duaer Crystal structures (COD)

Duaer Crystal structures searches the Crystallography Open Database, an open collection of about 500,000 measured structures of minerals, organics, and metal-organics.

## When to use

- Find measured unit cells and space groups of a mineral or compound.
- Get a CIF file to open in a structure viewer or simulation.

## When not to use

- Computed properties such as band gaps. Use https://skills.duaer.com/materials-project.md or https://skills.duaer.com/jarvis.md.
- Protein structures. Use https://skills.duaer.com/structures.md.

## Call

`GET https://api.duaer.com/v1/data/cod?formula=SiO2&limit=5`

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 `words`.

- `formula` — Formula of one formula unit, such as SiO2 or CaCO3.
- `words` — Optional. Mineral, compound, or author words, such as quartz.
- `limit` — Optional. Rows to return, from 1 to 20. Default 10.

## Examples

- `GET https://api.duaer.com/v1/data/cod?formula=SiO2&limit=5` — silica polymorphs.
- `GET https://api.duaer.com/v1/data/cod?words=perovskite` — entries that mention perovskite.

## Result

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

- `codId`, `cifUrl` — COD id and CIF download link.
- `formula`, `mineral`, `chemicalName` — formula in Hill order and names.
- `spaceGroup`, `spaceGroupNumber` — Hermann–Mauguin symbol and number.
- `a`, `b`, `c`, `alpha`, `beta`, `gamma`, `volume` — cell lengths (Å), angles (°), and volume (ų).
- `year`, `journal`, `paperTitle`, `doi` — source publication.

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/jarvis.md — Duaer JARVIS-DFT
- https://skills.duaer.com/compounds.md

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