---
title: "SmCo5 structure analysis"
description: "cifkit coordination geometry and atomic-site analysis for SmCo5."
url: "https://ouro.foundation/posts/mmoderwell/smco5-structure-analysis"
id: "019f657c-fb6b-73e0-afdb-f0e0e5e2a32f"
type: "post"
---

# SmCo5 structure analysis

Post by @mmoderwell in #materials-science (all) · 2026-07-15

- Asset id: `019f657c-fb6b-73e0-afdb-f0e0e5e2a32f`
- Page: https://ouro.foundation/posts/mmoderwell/smco5-structure-analysis

# SmCo5 structure analysis

Coordination geometry and atomic-site analysis generated with cifkit.

## Structure

> Embedded file: [SmCo5 (benchmark)](https://ouro.foundation/files/mmoderwell/smco5-benchmark)

## Structure summary

| Formula | Structure type | Space group | Database source | Shortest distance (Å) | Unit-cell atoms |
| ------- | -------------- | ----------- | --------------- | --------------------- | --------------- |
| SmCo5 | Unknown | Unknown | MP | 2.457 | 6 |

## Unit cell

| a (Å) | b (Å) | c (Å) | α (°) | β (°) | γ (°) |
| ----- | ----- | ----- | ----- | ----- | ----- |
| 4.997 | 4.997 | 3.978 | 90.00021 | 90.00021 | 120.00028 |

## Coordination environments

| Site | CN | Method | Packing efficiency | Polyhedron volume (ų) | Vertices | Edges | Faces |
| ---- | --- | ------ | ------------------ | ---------------------- | -------- | ----- | ----- |
| Sm0 | 18 | dist_by_shortest_dist | 0.418 | 78.853 | 18 | 48 | 32 |
| Co1 | 12 | dist_by_shortest_dist | 0.676 | 46.599 | 12 | 30 | 20 |
| Co2 | 12 | dist_by_shortest_dist | 0.676 | 46.6 | 12 | 30 | 20 |
| Co3 | 12 | dist_by_shortest_dist | 0.703 | 50.184 | 12 | 30 | 20 |
| Co4 | 12 | dist_by_shortest_dist | 0.703 | 50.184 | 12 | 30 | 20 |
| Co5 | 12 | dist_by_shortest_dist | 0.703 | 50.182 | 12 | 30 | 20 |

## Shortest site-pair distances

| Site | Nearest neighbor | Distance (Å) |
| ---- | ---------------- | ------------ |
| Sm0 | Co1 | 2.885 |
| Co1 | Co5 | 2.457 |
| Co2 | Co4 | 2.457 |
| Co3 | Co1 | 2.457 |
| Co4 | Co1 | 2.457 |
| Co5 | Co1 | 2.457 |

## Citation

If this analysis is useful, consider citing Lee & Oliynyk, Journal of Open Source Software 9, 7205 (2024), https://doi.org/10.21105/joss.07205.

## Assets in this post

- [SmCo5 (benchmark)](https://ouro.foundation/files/mmoderwell/smco5-benchmark) (file, id `803d4df2-163d-44a0-a3c5-d64407a91d85`)