GFO-AFM-FM

Mendeley Data2026-04-09 收录

计算材料科学

磁性材料模拟

数据链接：

https://data.mendeley.com/datasets/b3jgc68sc4/1 数据链接链接失效反馈

官方服务：

资源简介：

Data set contains DFT+U calculation results for R3c GaFeO3 at ground state conditions, considering the G-Type AFM and FM configuration of Fe Sublattices. Results indicate prominent multifunctional potential of this material.

Evaluation of point-core approximation effect on the positron energy levels in diamond structure solids

正电子湮没光谱学

计算材料科学

这篇文章的主要内容是评估所谓的“点心”近似对金刚石固体结构中正电子能级、正电子寿命等参数的影响，其核心是利用赝势平面波方法计算正电子相关波函数等。文章给出了主要的数据图，但没有给出计算这些参数所涉及的重要过程数据，如金刚石结构的中构成原子核心电子密度、价电子密度等。这个数据集即给出文章中未给出的重要的过程数据。

DataCite Commons2025-02-02 更新110

Materials Data on Li2MnO2F by Materials Project

计算材料科学

原子结构模拟

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90

Data for article: Structure of Nanochannel Entrances in Stopcock-Functionalized Zeolite L Composites

纳米材料

计算材料科学

Supporting material for article: Structure of Nanochannel Entrances in Stopcock-Functionalized Zeolite L Composites- Detailed description of the computational procedure - Additional figures of the fun

DataCite Commons2020-09-04 更新70

Materials Data on Li3V3(PO4)4 by Materials Project

计算材料科学

电池正极材料

DataCite Commons2021-02-04 更新100

Molecular dynamics simulation of radiation damage cascades in diamond (Dataset 2)

辐射损伤模拟

计算材料科学

Radiation damage cascades in diamond are studied by molecular dynamics simulations employing the Environment Dependent Interaction Potential for carbon. Primary knock-on atom (PKA) energies up to 2.5

NIAID Data Ecosystem70

GFO-AFM-FM

资源简介：

相关数据集