Optimized Nanoparticle Structures

NIAID Data Ecosystem2026-05-02 收录

材料结构优化

材料设计

数据链接：

https://figshare.com/articles/dataset/Optimized_Nanoparticle_Structures/27973206 数据链接链接失效反馈

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资源简介：

Optimized nanoparticle structures discovered by optimizing augmented Hetero-GNN model

创建时间：

2024-12-05

Materials Data on LiP4WO12 by Materials Project

材料设计

电子结构计算

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For

DataCite Commons2021-02-04 更新110

Materials Data on Al3Ge by Materials Project

晶体结构分析

材料设计

Al3Ge is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Al sites. In the first Al site, Al is bonded t

DataCite Commons2021-02-04 更新60

Materials Data on Nd5Rh4 by Materials Project

晶体结构表征

材料设计

Nd5Rh4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to si

DataCite Commons2021-02-04 更新60

Materials Data on GePb2(SeO3)4 by Materials Project

晶体结构表征

材料设计

Pb2Ge(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distan

DataCite Commons2021-02-04 更新80

In silico design of three-dimensional porous covalent organic frameworks via ...

材料设计

纳米多孔材料

Covalent organic frameworks (COFs) are a class of advanced nanoporous polymeric materials which combine the crystallinity of metal–organic frameworks (MOFs) with the stability...

B2FIND60

Optimized Nanoparticle Structures

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