入门
在 Duaer 里查 JARVIS-DFT
在 Duaer 里：NIST JARVIS-DFT 计算材料数据，含带隙、形成能、凸包以上能量、空间群以及二维/三维维度。一次成功查询用 1 额度。
能拿到什么
Duaer 数据市场里的「JARVIS-DFT」：NIST JARVIS-DFT 计算材料数据，含带隙、形成能、凸包以上能量、空间群以及二维/三维维度。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 → JARVIS-DFT，或打开 数据市场。相关：Materials Project、NOMAD、晶体结构（COD）。
适合做什么
- 比较候选半导体或二维材料的带隙与稳定性。
- 按凸包以上能量找出某组成最稳定的相。
在画布里检索
- 打开节点创建器，选 Duaer 数据 → JARVIS-DFT。
- 填 Formula（如 MoS2）或 Elements（如 Mo,S）。
- 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/jarvis?formula=MoS2
- 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-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)
常见问题
Duaer 的JARVIS-DFT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。
为什么 Duaer JARVIS 有些字段缺失？
JARVIS 并未对每种材料计算所有性质；Duaer 直接省略这些字段，而不显示占位值。
同组
入门
在 Duaer 里查 Materials Project
在 Duaer 里：按化学式或所含元素检索 Materials Project 的计算无机材料，返回材料编号、化学式、元素与原子位点数。一次成功查询用 1 额度。
入门在 Duaer 里查 NOMAD
在 Duaer 里：按化学式、元素和模拟程序检索 NOMAD 仓库中的材料模拟条目：计算方法、流程、程序、作者与上传日期。一次成功查询用 1 额度。
入门在 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。