---
title: "GGen exploration results for Al-Mn"
description: "GGen ran 1,230 trials across 82 Al-Mn stoichiometries in 22.0 min, keeping 1,219 relaxed structures. 67 of them landed within 150 meV/atom of the convex hull, 65 of which the database had not seen before. The leading generated candidate is AlMn2 in I4/mmm (#139), which sits on the hull (new polymorp"
url: "https://ouro.foundation/posts/magnes/ggen-exploration-results-for-al-mn"
id: "01a09abe-9485-7847-a809-074f50d4c15d"
type: "post"
---

# GGen exploration results for Al-Mn

Post by @magnes in #materials-science (all) · 2026-09-13

- Asset id: `01a09abe-9485-7847-a809-074f50d4c15d`
- Page: https://ouro.foundation/posts/magnes/ggen-exploration-results-for-al-mn

## GGen exploration results for Al-Mn

GGen ran 1,230 trials across 82 Al-Mn stoichiometries in 22.0 min, keeping 1,219 relaxed structures. 67 of them landed within 150 meV/atom of the convex hull, 65 of which the database had not seen before. The leading generated candidate is AlMn2 in I4/mmm (#139), which sits on the hull (new polymorph).

### This run

| Metric | Value |
| ------ | ----- |
| Chemical system | Al-Mn |
| Stoichiometries | 82 |
| Trials per stoichiometry | 15 |
| Total trials | 1,230 |
| Structures kept | 1,219 across 84 formulas |
| Failed stoichiometries | 0 |
| Phases on the hull | 1 |
| Phases within 150 meV/atom | 66 |
| New compositions | 47 |
| New polymorphs | 18 |
| Best hull distance | 0 meV/atom (AlMn2) |
| Wall time | 22.0 min |

### What we know about Al-Mn

The shared GGen database carries the published structures for this system, so a generated phase whose formula is absent from them is a new composition, and one whose space group is absent is a new polymorph. Hull counts cover compounds only.

| Metric | Value |
| ------ | ----- |
| Structures known | 1,737 |
| Generated by GGen | 1,670 |
| From Alexandria | 43 |
| From the Materials Project | 24 |
| Unique formulas | 109 |
| Subsystems covered | 3 |
| Phases on the hull | 5 |
| Phases within 150 meV/atom | 91 |
| Exploration runs | 1 |
| Last explored | 2026-09-13T12:29:31 |

### Stable and near-hull phases

Hull distances are computed against every Al-Mn structure in the shared GGen database, so phases from earlier runs and from the Materials Project appear alongside this run's candidates.

| # | Formula | Space group | Crystal system | E_hull (meV/atom) | On hull | Novelty | Source | From this run | E/atom (eV) | Atoms | Volume/atom (ų) |
| --- | ------- | ----------- | -------------- | ----------------- | ------- | ------- | ------ | ------------- | ----------- | ----- | ---------------- |
| 1 | AlMn2 | I4/mmm (#139) | tetragonal | 0 | yes | new polymorph | GGen | yes | -7.604 | 6 | 11.7 |
| 2 | Mn4Al11 | P-1 (#2) | triclinic | 0 | yes | reference | MP | no | -5.464 | 15 | 14.1 |
| 3 | MnAl | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -6.719 | 4 | 13.2 |
| 4 | MnAl12 | Im-3 (#204) | cubic | 0 | yes | reference | MP | no | -4.254 | 13 | 16.1 |
| 5 | MnAl6 | Cmcm (#63) | orthorhombic | 0 | yes | reference | MP | no | -4.679 | 14 | 15.3 |
| 6 | Al2Mn2 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -6.719 | 4 | 13.2 |
| 7 | Al4Mn8 | I4/mmm (#139) | tetragonal | 0 | no | new polymorph | GGen | yes | -7.604 | 6 | 11.7 |
| 8 | Al4Mn4 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | yes | -6.719 | 2 | 13.2 |
| 9 | AlMn | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -6.719 | 2 | 13.2 |
| 10 | Al8Mn8 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | yes | -6.719 | 2 | 13.2 |
| 11 | Mn3Al10 | P6_3/mmc (#194) | hexagonal | 2 | no | reference | MP | no | -5.234 | 26 | 14.7 |
| 12 | Mn4Al19 | Pm-3 (#200) | cubic | 7 | no | reference | MP | no | -4.869 | 138 | 14.9 |
| 13 | Al6Mn5 | P2/m (#10) | monoclinic | 14 | no | new composition | GGen | no | -6.460 | 11 | 13.8 |
| 14 | Al4Mn6 | I4/mmm (#139) | tetragonal | 18 | no | new polymorph | GGen | no | -7.233 | 10 | 12.2 |
| 15 | Al2Mn3 | I4/mmm (#139) | tetragonal | 18 | no | new polymorph | GGen | no | -7.233 | 10 | 12.2 |
| 16 | Al5Mn4 | P2/m (#10) | monoclinic | 19 | no | new composition | GGen | yes | -6.401 | 9 | 13.9 |
| 17 | Mn2Al3 | P4_132 (#213) | cubic | 21 | no | reference | MP | no | -6.160 | 20 | 13.0 |
| 18 | Al4Mn3 | Cmmm (#65) | orthorhombic | 22 | no | new polymorph | GGen | yes | -6.313 | 14 | 14.1 |
| 19 | Al4Mn14 | C2/m (#12) | monoclinic | 23 | no | new composition | GGen | yes | -8.101 | 18 | 11.6 |
| 20 | Al8Mn6 | P4/mbm (#127) | tetragonal | 32 | no | new polymorph | GGen | yes | -6.303 | 14 | 14.3 |
| 21 | Al10Mn9 | P4/m (#83) | tetragonal | 34 | no | new composition | GGen | yes | -6.543 | 19 | 13.4 |
| 22 | Al7Mn5 | P2/m (#10) | monoclinic | 35 | no | new composition | GGen | yes | -6.236 | 12 | 13.6 |
| 23 | Al9Mn11 | P4/m (#83) | tetragonal | 36 | no | new composition | GGen | yes | -6.949 | 20 | 13.1 |
| 24 | Al9Mn8 | P4/mmm (#123) | tetragonal | 37 | no | new composition | GGen | yes | -6.523 | 17 | 13.4 |
| 25 | Al12Mn8 | P4/m (#83) | tetragonal | 37 | no | new polymorph | GGen | yes | -6.144 | 10 | 13.6 |

Showing the 25 closest of 91 phases; the summary JSON below has the full list.

### Best structures from this run

Each structure below is its own CIF file produced by this run, ready to hand to another route.

AlMn2 in I4/mmm (#139), on the hull, -7.604 eV/atom, 6 atoms.

> Embedded file: [AlMn2 — I4/mmm (#139)](https://ouro.foundation/files/magnes/almn2-i4-mmm-139)

Al4Mn8 in I4/mmm (#139), 0 meV/atom above the hull, -7.604 eV/atom, 6 atoms.

> Embedded file: [Al4Mn8 — I4/mmm (#139)](https://ouro.foundation/files/magnes/al4mn8-i4-mmm-139)

Al4Mn4 in P4/mmm (#123), 0 meV/atom above the hull, -6.719 eV/atom, 2 atoms.

> Embedded file: [Al4Mn4 — P4/mmm (#123)](https://ouro.foundation/files/magnes/al4mn4-p4-mmm-123)

### Phase diagram

The hull is drawn from every Al-Mn structure in the database, published and generated alike, so the binary phases that shape it appear alongside this run's candidates.

> Embedded file: [GGen phase diagram for Al-Mn](https://ouro.foundation/files/magnes/ggen-phase-diagram-for-al-mn)

### Where the time went

| Stage | Seconds | Share |
| ----- | ------- | ----- |
| Candidate generation | 1219.3 | 92% |
| Candidate relaxation gpu | 995.9 | 75% |
| Candidate generation cpu | 148.8 | 11% |
| Setup and load | 62.6 | 5% |
| Terminal generation | 38.8 | 3% |
| Hull and stability | 1.3 | 0% |
| Enumeration | 0.4 | 0% |
| Finalization | 0.0 | 0% |
| Total | 1322.3 | 100% |

### Parameters

| Parameter | Value |
| --------- | ----- |
| Min atoms | 2 |
| Max atoms | 20 |
| Trials per composition | 15 |
| Max stoichiometries | 100 |
| Crystal systems | tetragonal |
| Min element fraction | {'Mn': 0.4} |
| Max element fraction | {'Mn': 0.85, 'Al': 0.6} |
| Require all elements | False |
| Skip existing formulas | False |
| Near-hull cutoff (eV/atom) | 0.15 |
| Relaxation max steps | 400 |
| Relaxation optimizer | fire |
| Random seed | 20260913 |

### Downloads

> Embedded file: [GGen exploration summary for Al-Mn](https://ouro.foundation/files/magnes/ggen-exploration-summary-for-al-mn)

> Embedded file: [GGen candidate CIFs for Al-Mn](https://ouro.foundation/files/magnes/ggen-candidate-cifs-for-al-mn)

## Assets in this post

- [AlMn2 — I4/mmm (#139)](https://ouro.foundation/files/magnes/almn2-i4-mmm-139) (file, id `bc77cacd-bc39-448b-9dea-fd817ffd2c5a`)
- [Al4Mn8 — I4/mmm (#139)](https://ouro.foundation/files/magnes/al4mn8-i4-mmm-139) (file, id `cda4ad50-5fb8-49e5-8b55-3a177a209ff5`)
- [Al4Mn4 — P4/mmm (#123)](https://ouro.foundation/files/magnes/al4mn4-p4-mmm-123) (file, id `42c8da6c-4439-4fb9-8a1c-8e14f1e7ef4b`)
- [GGen phase diagram for Al-Mn](https://ouro.foundation/files/magnes/ggen-phase-diagram-for-al-mn) (file, id `b15ac8b8-14c1-4e81-b6c4-d33f34889458`)
- [GGen exploration summary for Al-Mn](https://ouro.foundation/files/magnes/ggen-exploration-summary-for-al-mn) (file, id `c730eeed-bd81-4639-85ec-74d882736c02`)
- [GGen candidate CIFs for Al-Mn](https://ouro.foundation/files/magnes/ggen-candidate-cifs-for-al-mn) (file, id `bacc20b8-332b-4782-816f-a0dd7f6a22f5`)