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Retrained Models and Scripts for Aluminum at 298K and 933K

B2FIND2026-04-29 收录

计算材料学

铝材料模拟

数据链接：

https://b2find.eudat.eu/dataset/37d68427-afaa-5757-87f1-537a382ceaa4 数据链接链接失效反馈

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资源简介：

Retrained Models and Scripts for Aluminum at 298K and 933K Authors - Fiedler, Lenz (HZDR/CASUS) - Cangi, Attila (HZDR/CASUS) Affiliations: HZDR - Helmholtz-Zentrum...

应用场景：

材料晶体结构

计算材料学

NaFeAs crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NaFeAs sheets oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted see-saw-

Mendeley Data2024-01-31 更新100

Density Functional Theory Calculations of Segregation Tendency of Alloying Elements in Al3Zr and Al3Sc Dispersoid Particles

计算材料学

合金元素偏析

Results and analysis of density functional theory calculations for publication: Stability and stoichiometry of L12 Al3(Sc,Zr) dispersoids in Al-(Si)-Sc-Zr alloys

NIAID Data Ecosystem70

Materials Data on ZrP2O9 by Materials Project

晶体结构解析

计算材料学

(Zr(PO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Zr(PO4)2 sheets oriented in the (0, 0, 1) direction. In e

DataCite Commons2021-02-04 更新60

Materials Data on Na(RuO2)2 by Materials Project

晶体结构解析

计算材料学

NaRu2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances r

DataCite Commons2021-02-04 更新70

Materials Data on La2Ta2O9 by Materials Project

晶体结构表征

计算材料学

La2Ta2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances rangi

DataCite Commons2021-02-05 更新60

Retrained Models and Scripts for Aluminum at 298K and 933K

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