入门
在 Duaer 里查Open Materials Database
在 Duaer 里:按化学式或元素检索 Open Materials Database 中的晶体结构,含晶胞化学式、原子位点数与周期性维度。一次成功查询用 1 额度。
能拿到什么
Duaer 数据市场里的「Open Materials Database」:按化学式或元素检索 Open Materials Database 中的晶体结构,含晶胞化学式、原子位点数与周期性维度。查到结果时用 1 额度,结果交给数字组织的下一个节点。
从节点创建器选 Duaer 数据 → Open Materials Database,或打开 数据市场。相关:Materials Cloud MC3D、晶体结构(COD)。
适合做什么
- 查某组分在 openmaterialsdb.se 里的结构。
- 与其他 OPTIMADE 数据库交叉核对结构。
在画布里检索
- 打开节点创建器,选 Duaer 数据 → Open Materials Database。
- 填 Formula(如 CaMgO6Si2)或 Elements(如 Ca,Mg)。
- Limit 默认 10,最大 20。执行。
查到结果才扣 1 额度;没有结果、输入有误或上游失败都不扣。
用 API 调用
- GET https://api.duaer.com/v1/data/omdb?formula=CaMgO6Si2
- Authorization: Bearer <Duaer key>
下方是与数据市场「复制技能」相同的英文技能,含参数、示例与返回字段。
调用技能(英文)
与数据市场「复制技能」一致。
---
name: duaer-omdb
description: >-
Duaer Open Materials Database. Crystal structures in the Open Materials Database by formula or elements, with cell formula, sites, and periodicity.
One successful search uses 1 Duaer credit.
---
# Duaer Open Materials Database
Duaer Open Materials Database searches the openmaterialsdb.se structure collection over OPTIMADE. It returns standard structure fields only.
## When to use
- Cross-check a structure against another open database.
- List structures that contain a set of elements.
## When not to use
- Band gaps or energies. Use https://skills.duaer.com/materials-project.md.
- 2D layers. Use https://skills.duaer.com/matpedia-2d.md.
## Call
`GET https://api.duaer.com/v1/data/omdb?formula=CaMgO6Si2`
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 CaMgO6Si2. Matches the reduced formula.
- `elements` — Optional. Materials that contain all of these, such as Ca,Mg.
- `limit` — Optional. Rows to return, from 1 to 20. Default 10.
## Examples
- `GET https://api.duaer.com/v1/data/omdb?formula=CaMgO6Si2` — diopside structures.
- `GET https://api.duaer.com/v1/data/omdb?elements=Ca,Mg&limit=5` — structures with calcium and magnesium.
## Result
The response is `{ "items": [...] }`. Each item has `source`, `title`, `url`, and `summary`, plus:
- `structureId` — provider id.
- `formula`, `formulaCell`, `elements`, `sites` — reduced formula, cell formula, elements, and atoms in the cell.
- `periodicDimensions` — 3 for bulk crystals.
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-cloud.md — Duaer Materials Cloud MC3D
- https://skills.duaer.com/cod.md — Duaer Crystal structures (COD)
常见问题
Duaer 的Open Materials Database检索扣多少额度?
查到结果时扣 1 额度;没有结果或出错不扣。
Duaer Open Materials Database 返回哪些字段?
Duaer Open Materials Database 只返回标准 OPTIMADE 结构字段,如化学式、元素与晶格,没有能量等性质。
同组