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Data publication: Describing chain-like assembly of ethoxygroup-functionalize...

B2FIND2026-04-25 收录

表面自组装

计算材料科学

数据链接：

https://b2find.eudat.eu/dataset/8ba42b11-87d0-5d4b-93ce-6246a043e546 数据链接链接失效反馈

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资源简介：

Bei diesem Datensatz handelt es sich um die Grundzustandsstruktur von PEEB auf Au(111) und die Inputdatei für DFTB+.

应用场景：

计算材料科学

离子电池材料

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40

SphericalGaussianFiles.rar

相场建模

计算材料科学

Codes For Anisotropic Phase Field Modeling Using a Spherical-Gaussian-Based 5-D Computational Approach

DataCite Commons2025-04-15 更新30

Materials Data on CaV4(AgO6)2 by Materials Project

计算材料科学

化学结构预测

DataCite Commons2021-02-04 更新30

Materials Data on Mg5Si9 by Materials Project

计算材料科学

晶体结构表征

Mg5Si9 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Mg sites. In the first Mg site, Mg is b

DataCite Commons2021-02-04 更新30

raw data of Predicting Thermodynamic Stability of Magnesium Alloys in Machine Learning

计算材料科学

镁合金热力学预测

raw data of Predicting Thermodynamic Stability of Magnesium Alloys in Machine Learning for submitting to Computational Materials Science.Datasets are VASP output files including energy, coordinate, et

DataCite Commons2025-02-02 更新30

Data publication: Describing chain-like assembly of ethoxygroup-functionalize...

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