GGen ran 300 trials across 30 Al-C-Mn-W stoichiometries in 7.4 min, keeping 298 relaxed structures. 28 of them landed within 150 meV/atom of the convex hull, 24 of which the database had not seen before. The leading generated candidate is Al4Mn6 in I4/mmm (#139), which sits on the hull (new polymorph).
GGen ran 300 trials across 30 Al-C-Mn-W stoichiometries in 7.4 min, keeping 298 relaxed structures. 28 of them landed within 150 meV/atom of the convex hull, 24 of which the database had not seen before. The leading generated candidate is Al4Mn6 in I4/mmm (#139), which sits on the hull (new polymorph).
Metric | Value |
|---|---|
Chemical system | Al-C-Mn-W |
Stoichiometries | 30 |
Trials per stoichiometry | 10 |
Total trials | 300 |
Structures kept | 298 across 34 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 1 |
Phases within 150 meV/atom | 27 |
New compositions | 19 |
New polymorphs | 5 |
Best hull distance | 0 meV/atom (Al4Mn6) |
Wall time | 7.4 min |
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 | 3,659 |
Generated by GGen | 3,242 |
From Alexandria | 322 |
From the Materials Project | 95 |
Hull distances are computed against every Al-C-Mn-W 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 |
|---|
Showing the 25 closest of 114 phases; the summary JSON below has the full list.
Each structure below is its own CIF file produced by this run, ready to hand to another route.
Al4Mn6 in I4/mmm (#139), on the hull, -7.233 eV/atom, 10 atoms.
GGen Al-C-Mn-W candidate: I4/mmm (#139), on the hull, -7.233 eV/atom, 10 atoms
Al2Mn2 in P4/mmm (#123), 0 meV/atom above the hull, -6.719 eV/atom, 4 atoms.
GGen Al-C-Mn-W candidate: P4/mmm (#123), 0 meV/atom above the hull, -6.719 eV/atom, 4 atoms
AlMn in P4/mmm (#123), 0 meV/atom above the hull, -6.719 eV/atom, 2 atoms.
GGen Al-C-Mn-W candidate: P4/mmm (#123), 0 meV/atom above the hull, -6.719 eV/atom, 2 atoms
The hull is drawn from every Al-C-Mn-W structure in the database, published and generated alike, so the binary phases that shape it appear alongside this run's candidates.
Interactive phase diagram built from every Al-C-Mn-W structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 383.2 | 86% |
Candidate relaxation gpu | 297.0 | 66% |
Terminal generation |
Parameter | Value |
|---|---|
Min atoms | 2 |
Max atoms | 16 |
Trials per composition | 10 |
Max stoichiometries | 100 |
Structured exploration summary, parameters, database stats, and stable phase metadata
Selected stable or near-hull GGen candidates as CIF files
Unique formulas |
254 |
Subsystems covered | 15 |
Phases on the hull | 14 |
Phases within 150 meV/atom | 114 |
Exploration runs | 1 |
Last explored | 2026-08-23T08:32:50 |
E/atom (eV) |
|---|
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | Al12W | Im-3 (#204) | cubic | 0 | yes | reference | MP | no | -4.535 | 13 | 16.8 |
2 | Al4C3 | R-3m (#166) | trigonal | 0 | yes | reference | MP | no | -6.186 | 7 | 11.7 |
3 | Al4Mn6 | I4/mmm (#139) | tetragonal | 0 | yes | new polymorph | GGen | yes | -7.233 | 10 | 12.2 |
4 | Al4W | Cm (#8) | monoclinic | 0 | yes | reference | MP | no | -5.743 | 15 | 16.2 |
5 | Al5W | P6_322 (#182) | hexagonal | 0 | yes | reference | MP | no | -5.422 | 12 | 15.5 |
6 | Mn23C6 | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -9.258 | 29 | 9.7 |
7 | Mn2AlW | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -8.966 | 4 | 12.9 |
8 | Mn3AlC | Pm-3m (#221) | cubic | 0 | yes | reference | MP | no | -8.279 | 5 | 11.0 |
9 | Mn3W3C | Fd-3m (#227) | cubic | 0 | yes | reference | MP | no | -10.871 | 28 | 12.3 |
10 | Mn4Al11 | P-1 (#2) | triclinic | 0 | yes | reference | MP | no | -5.464 | 15 | 14.1 |
11 | MnAl | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -6.719 | 4 | 13.2 |
12 | MnAl12 | Im-3 (#204) | cubic | 0 | yes | reference | MP | no | -4.254 | 13 | 16.1 |
13 | MnAl6 | Cmcm (#63) | orthorhombic | 0 | yes | reference | MP | no | -4.679 | 14 | 15.3 |
14 | WC | P-6m2 (#187) | hexagonal | 0 | yes | reference | MP | no | -11.186 | 2 | 10.8 |
15 | Al2Mn2 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | yes | -6.719 | 4 | 13.2 |
16 | AlMn | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | yes | -6.719 | 2 | 13.2 |
17 | Al2Mn3 | I4/mmm (#139) | tetragonal | 0 | no | new polymorph | GGen | yes | -7.233 | 10 | 12.2 |
18 | Al8Mn8 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | yes | -6.719 | 16 | 13.2 |
19 | Al4Mn4 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | yes | -6.719 | 2 | 13.2 |
20 | Mn3Al10 | P6_3/mmc (#194) | hexagonal | 2 | no | reference | MP | no | -5.234 | 26 | 14.7 |
21 | Mn3C | Pnma (#62) | orthorhombic | 4 | no | reference | MP | no | -9.252 | 16 | 9.3 |
22 | Mn4Al19 | Pm-3 (#200) | cubic | 7 | no | reference | MP | no | -4.869 | 138 | 14.9 |
23 | Mn7C3 | Pnma (#62) | orthorhombic | 8 | no | reference | MP | no | -9.245 | 40 | 8.9 |
24 | Mn5C2 | C2/c (#15) | monoclinic | 11 | no | reference | MP | no | -9.243 | 14 | 9.2 |
25 | Mn14W4 | P-3m1 (#164) | trigonal | 13 | no | new composition | GGen | no | -9.993 | 18 | 12.2 |
59.9
13% |
Candidate generation cpu | 43.2 | 10% |
Hull and stability | 1.3 | 0% |
Setup and load | 1.2 | 0% |
Enumeration | 1.2 | 0% |
Finalization | 0.0 | 0% |
Total | 446.7 | 100% |
Crystal systems |
tetragonal, hexagonal |
Min element fraction | {'Mn': 0.45, 'Al': 0.35} |
Max element fraction | {'W': 0.06, 'C': 0.08} |
Require all elements | False |
Skip existing formulas | False |
Near-hull cutoff (eV/atom) | 0.15 |
Relaxation max steps | 400 |
Relaxation optimizer | fire |