Dataset for the solid-solid interface GaF3-LiCl

Figshare2025-07-25 更新2026-04-28 收录

材料界面结构

计算材料学

数据链接：

https://figshare.com/articles/dataset/Dataset_for_the_solid-solid_interface_GaF3-LiCl/29646494 数据链接链接失效反馈

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资源简介：

The dataset in .xyz file format for the LiCl-GaF3 solid-solid interfaces.

创建时间：

2025-07-25

Materials Data on Sc3Mn3Al7Si5 by Materials Project

晶体结构表征

计算材料学

Sc3Mn3Al7Si5 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 5-coordinate geometry to seven Al and four Si atoms. There are a spread of Sc–Al

DataCite Commons2021-02-04 更新130

Materials Data on SmRh3 by Materials Project

金属间化合物结构

计算材料学

SmRh3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twe

DataCite Commons2021-02-05 更新70

Materials Data on B6Pb3O11F2 by Materials Project

晶体结构表征

计算材料学

Pb3B6O11F2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are six inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry

DataCite Commons2021-02-04 更新50

Materials Data on Li3MnV(PO4)3 by Materials Project

计算材料学

电池材料设计

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 Commons2021-02-05 更新80

Materials Data on ZrSiO2 by Materials Project

晶体结构分析

计算材料学

ZrSiO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Zr is bonded to six equivalent O atoms to form distorted edge-sharing ZrO6 octahedra. There are two shor

DataCite Commons2021-02-04 更新60

Dataset for the solid-solid interface GaF3-LiCl

资源简介：

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