入门
在 Duaer 里查AFLOW
在 Duaer 里：按化学式或元素检索 AFLOW 计算材料：带隙、形成焓、空间群与 Pearson 符号。一次成功查询用 1 额度。
能拿到什么
Duaer 数据市场里的「AFLOW」：按化学式或元素检索 AFLOW 计算材料：带隙、形成焓、空间群与 Pearson 符号。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 → AFLOW，或打开 数据市场。相关：Alexandria、Materials Project。
适合做什么
- 按带隙或形成焓筛选候选化合物。
- 比较同一化学式的不同多形体。
在画布里检索
- 打开节点创建器，选 Duaer 数据 → AFLOW。
- 填 Formula（如 TiO2）或 Elements（如 Ti,O）。
- 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/aflow?formula=TiO2
- 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-aflow
description: >-
Duaer AFLOW. Computed materials from AFLOW by formula or elements: band gap, formation enthalpy, space group, and Pearson symbol.
One successful search uses 1 Duaer credit.
---
# Duaer AFLOW
Duaer AFLOW searches the AFLOW database of high-throughput DFT calculations. A formula matches the reduced formula; elements find every compound containing them.
## When to use
- Screen candidate compounds by band gap or formation enthalpy.
- Compare polymorphs of one formula.
## When not to use
- Experimental structures. Use https://skills.duaer.com/cod.md.
- Simulation runs and raw files. Use https://skills.duaer.com/nomad.md.
## Call
`GET https://api.duaer.com/v1/data/aflow?formula=TiO2`
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 TiO2. Matches the reduced formula.
- `elements` — Optional. Materials that contain all of these, such as Ti,O.
- `limit` — Optional. Rows to return, from 1 to 20. Default 10.
## Examples
- `GET https://api.duaer.com/v1/data/aflow?formula=TiO2` — TiO2 polymorphs with band gaps.
- `GET https://api.duaer.com/v1/data/aflow?elements=Li,Fe&limit=5` — compounds containing lithium and iron.
## Result
The response is `{ "items": [...] }`. Each item has `source`, `title`, `url`, and `summary`, plus:
- `auid`, `aflowPath` — AFLOW ids.
- `formula`, `compound`, `elements` — reduced formula, cell formula, and elements.
- `spaceGroupNumber`, `pearsonSymbol` — relaxed symmetry.
- `bandGapEv`, `formationEnthalpyEvPerAtom` — electronic gap and stability.
AFLOW can take several seconds to answer.
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/alexandria.md — Duaer Alexandria
- https://skills.duaer.com/materials-project.md — Duaer Materials Project
常见问题
Duaer 的AFLOW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 AFLOW 为什么比较慢？
AFLOW 上游通常要几秒才返回；Duaer 按化学式过滤后再给出结果。
同组