# Materials Data on Mg7Nb by Materials Project

## Abstract

Mg7Nb crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are twenty-five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with twelve equivalent MgMg12 cuboctahedra, edges with twenty-four MgMg10Nb2 cuboctahedra, faces with six equivalent NbMg12 cuboctahedra, and faces with twelve MgMg10Nb2 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the fourth Mg site, Mgmore »

- Authors:

- Publication Date:

- Other Number(s):
- mp-1079163

- DOE Contract Number:
- AC02-05CH11231; EDCBEE

- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)

- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain

- Subject:
- 36 MATERIALS SCIENCE

- Keywords:
- crystal structure; Mg7Nb; Mg-Nb

- OSTI Identifier:
- 1687991

- DOI:
- https://doi.org/10.17188/1687991

### Citation Formats

```
The Materials Project.
```*Materials Data on Mg7Nb by Materials Project*. United States: N. p., 2020.
Web. doi:10.17188/1687991.

```
The Materials Project.
```*Materials Data on Mg7Nb by Materials Project*. United States. doi:https://doi.org/10.17188/1687991

```
The Materials Project. 2020.
"Materials Data on Mg7Nb by Materials Project". United States. doi:https://doi.org/10.17188/1687991. https://www.osti.gov/servlets/purl/1687991. Pub date:Sat May 02 00:00:00 EDT 2020
```

```
@article{osti_1687991,
```

title = {Materials Data on Mg7Nb by Materials Project},

author = {The Materials Project},

abstractNote = {Mg7Nb crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are twenty-five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with twelve equivalent MgMg12 cuboctahedra, edges with twenty-four MgMg10Nb2 cuboctahedra, faces with six equivalent NbMg12 cuboctahedra, and faces with twelve MgMg10Nb2 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the sixth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the seventh Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the eighth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the ninth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the tenth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the eleventh Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the twelfth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the thirteenth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the fourteenth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the fifteenth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the sixteenth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the seventeenth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the eighteenth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the nineteenth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the twentieth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the twenty-first Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the twenty-second Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the twenty-third Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the twenty-fourth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. In the twenty-fifth Mg site, Mg is bonded to ten Mg and two equivalent Nb atoms to form MgMg10Nb2 cuboctahedra that share corners with twelve MgMg10Nb2 cuboctahedra, edges with four equivalent NbMg12 cuboctahedra, edges with twenty MgMg12 cuboctahedra, faces with two equivalent NbMg12 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.11 Å. Both Mg–Nb bond lengths are 3.11 Å. Nb is bonded to twelve Mg atoms to form NbMg12 cuboctahedra that share corners with twelve equivalent NbMg12 cuboctahedra, edges with twenty-four MgMg10Nb2 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra.},

doi = {10.17188/1687991},

journal = {},

number = ,

volume = ,

place = {United States},

year = {2020},

month = {5}

}