---
title: "GGen exploration results for Al-C-Mn"
description: "GGen ran 1,500 trials across 100 Al-C-Mn stoichiometries in 34.7 min, keeping 1,435 relaxed structures. 90 of them landed within 150 meV/atom of the convex hull, 90 of which the database had not seen before. The leading generated candidate is Al3CMn5 in Pmmm (#47), which sits 22 meV/atom above the h"
url: "https://ouro.foundation/posts/magnes/ggen-exploration-results-for-al-c-mn"
id: "01a06e35-6fc2-7840-b96a-8fce749c2acb"
type: "post"
---

# GGen exploration results for Al-C-Mn

Post by @magnes in #materials-science (all) · 2026-09-04

- Asset id: `01a06e35-6fc2-7840-b96a-8fce749c2acb`
- Page: https://ouro.foundation/posts/magnes/ggen-exploration-results-for-al-c-mn

## GGen exploration results for Al-C-Mn

GGen ran 1,500 trials across 100 Al-C-Mn stoichiometries in 34.7 min, keeping 1,435 relaxed structures. 90 of them landed within 150 meV/atom of the convex hull, 90 of which the database had not seen before. The leading generated candidate is Al3CMn5 in Pmmm (#47), which sits 22 meV/atom above the hull (new composition).

### This run

| Metric | Value |
| ------ | ----- |
| Chemical system | Al-C-Mn |
| Stoichiometries | 100 |
| Trials per stoichiometry | 15 |
| Total trials | 1,500 |
| Structures kept | 1,435 across 103 formulas |
| Failed stoichiometries | 0 |
| Phases on the hull | 0 |
| Phases within 150 meV/atom | 90 |
| New compositions | 89 |
| New polymorphs | 1 |
| Best hull distance | 22 meV/atom (Al3CMn5) |
| Wall time | 34.7 min |

### What we know about Al-C-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 | 2,272 |
| Generated by GGen | 2,031 |
| From Alexandria | 177 |
| From the Materials Project | 64 |
| Unique formulas | 214 |
| Subsystems covered | 7 |
| Phases on the hull | 8 |
| Phases within 150 meV/atom | 133 |
| Exploration runs | 1 |
| Last explored | 2026-09-04T20:56:24 |

### Stable and near-hull phases

Hull distances are computed against every Al-C-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 | Al4C3 | R-3m (#166) | trigonal | 0 | yes | reference | MP | no | -6.186 | 7 | 11.7 |
| 2 | Al4Mn6 | I4/mmm (#139) | tetragonal | 0 | yes | new polymorph | GGen | no | -7.233 | 10 | 12.2 |
| 3 | Mn23C6 | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -9.258 | 29 | 9.7 |
| 4 | Mn3AlC | Pm-3m (#221) | cubic | 0 | yes | reference | MP | no | -8.279 | 5 | 11.0 |
| 5 | Mn4Al11 | P-1 (#2) | triclinic | 0 | yes | reference | MP | no | -5.464 | 15 | 14.1 |
| 6 | MnAl | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -6.719 | 4 | 13.2 |
| 7 | MnAl12 | Im-3 (#204) | cubic | 0 | yes | reference | MP | no | -4.254 | 13 | 16.1 |
| 8 | MnAl6 | Cmcm (#63) | orthorhombic | 0 | yes | reference | MP | no | -4.679 | 14 | 15.3 |
| 9 | Al2Mn2 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -6.719 | 4 | 13.2 |
| 10 | AlMn | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -6.719 | 2 | 13.2 |
| 11 | Al2Mn3 | I4/mmm (#139) | tetragonal | 0 | no | new polymorph | GGen | no | -7.233 | 10 | 12.2 |
| 12 | Al8Mn8 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -6.719 | 16 | 13.2 |
| 13 | Al4Mn4 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -6.719 | 2 | 13.2 |
| 14 | Mn3Al10 | P6_3/mmc (#194) | hexagonal | 2 | no | reference | MP | no | -5.234 | 26 | 14.7 |
| 15 | Mn3C | Pnma (#62) | orthorhombic | 4 | no | reference | MP | no | -9.252 | 16 | 9.3 |
| 16 | Mn4Al19 | Pm-3 (#200) | cubic | 7 | no | reference | MP | no | -4.869 | 138 | 14.9 |
| 17 | Mn7C3 | Pnma (#62) | orthorhombic | 8 | no | reference | MP | no | -9.245 | 40 | 8.9 |
| 18 | Mn5C2 | C2/c (#15) | monoclinic | 11 | no | reference | MP | no | -9.243 | 14 | 9.2 |
| 19 | Al6Mn5 | P2/m (#10) | monoclinic | 14 | no | new composition | GGen | no | -6.460 | 11 | 13.8 |
| 20 | Mn2Al3 | P4_132 (#213) | cubic | 21 | no | reference | MP | no | -6.160 | 20 | 13.0 |
| 21 | Al3CMn5 | Pmmm (#47) | orthorhombic | 22 | no | new composition | GGen | yes | -7.564 | 9 | 12.0 |
| 22 | Al4Mn7 | C2/m (#12) | monoclinic | 22 | no | new composition | GGen | no | -7.386 | 22 | 11.9 |
| 23 | Al4CMn6 | P4/m (#83) | tetragonal | 26 | no | new composition | GGen | yes | -7.402 | 11 | 12.2 |
| 24 | Al7Mn9 | Cmmm (#65) | orthorhombic | 34 | no | new composition | GGen | no | -7.006 | 32 | 13.0 |
| 25 | Al4CMn5 | C2/m (#12) | monoclinic | 36 | no | new composition | GGen | yes | -7.198 | 20 | 12.2 |

Showing the 25 closest of 133 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.

Al3CMn5 in Pmmm (#47), 22 meV/atom above the hull, -7.564 eV/atom, 9 atoms.

> Embedded file: [Al3CMn5 — Pmmm (#47)](https://ouro.foundation/files/magnes/al3cmn5-pmmm-47)

Al4CMn6 in P4/m (#83), 26 meV/atom above the hull, -7.402 eV/atom, 11 atoms.

> Embedded file: [Al4CMn6 — P4/m (#83)](https://ouro.foundation/files/magnes/al4cmn6-p4-m-83)

Al4CMn5 in C2/m (#12), 36 meV/atom above the hull, -7.198 eV/atom, 20 atoms.

> Embedded file: [Al4CMn5 — C2/m (#12)](https://ouro.foundation/files/magnes/al4cmn5-c2-m-12)

### Phase diagram

The hull is drawn from every Al-C-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-C-Mn](https://ouro.foundation/files/magnes/ggen-phase-diagram-for-al-c-mn)

### Where the time went

| Stage | Seconds | Share |
| ----- | ------- | ----- |
| Candidate generation | 1997.1 | 96% |
| Candidate relaxation gpu | 1748.7 | 84% |
| Candidate generation cpu | 276.4 | 13% |
| Terminal generation | 48.8 | 2% |
| Setup and load | 32.3 | 2% |
| Hull and stability | 1.2 | 0% |
| Enumeration | 0.5 | 0% |
| Finalization | 0.0 | 0% |
| Total | 2079.9 | 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, 'C': 0.02} |
| Max element fraction | {'Mn': 0.85, 'Al': 0.58, 'C': 0.12} |
| Require all elements | True |
| Skip existing formulas | False |
| Near-hull cutoff (eV/atom) | 0.15 |
| Relaxation max steps | 400 |
| Relaxation optimizer | fire |
| Random seed | 20260904 |

### Downloads

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

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

## Assets in this post

- [Al3CMn5 — Pmmm (#47)](https://ouro.foundation/files/magnes/al3cmn5-pmmm-47) (file, id `ba4e8467-be0e-4a59-b875-1f9babee29bb`)
- [Al4CMn6 — P4/m (#83)](https://ouro.foundation/files/magnes/al4cmn6-p4-m-83) (file, id `bdc747cc-9d8b-4c01-b477-23a8713b1d48`)
- [Al4CMn5 — C2/m (#12)](https://ouro.foundation/files/magnes/al4cmn5-c2-m-12) (file, id `7da1562a-8d6e-45c3-b440-ccd232a55700`)
- [GGen phase diagram for Al-C-Mn](https://ouro.foundation/files/magnes/ggen-phase-diagram-for-al-c-mn) (file, id `a326d786-a124-4b42-ba51-48717c551750`)
- [GGen exploration summary for Al-C-Mn](https://ouro.foundation/files/magnes/ggen-exploration-summary-for-al-c-mn) (file, id `ea868cce-873f-4174-907f-cff58ed21dca`)
- [GGen candidate CIFs for Al-C-Mn](https://ouro.foundation/files/magnes/ggen-candidate-cifs-for-al-c-mn) (file, id `c3d585a1-583f-42c6-b149-6b92d3f95c27`)