GGen ran 940 trials across 94 Co-Fe-N-W stoichiometries in 21.6 min, keeping 738 relaxed structures. 26 of them landed within 150 meV/atom of the convex hull, 26 of which the database had not seen before. The leading generated candidate is Fe10N in C2/m (#12), which sits 22 meV/atom above the hull (new composition).
GGen ran 940 trials across 94 Co-Fe-N-W stoichiometries in 21.6 min, keeping 738 relaxed structures. 26 of them landed within 150 meV/atom of the convex hull, 26 of which the database had not seen before. The leading generated candidate is Fe10N in C2/m (#12), which sits 22 meV/atom above the hull (new composition).
Metric | Value |
|---|---|
Chemical system | Co-Fe-N-W |
Stoichiometries | 94 |
Trials per stoichiometry | 10 |
Total trials | 940 |
Structures kept | 738 across 98 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 26 |
New compositions | 24 |
New polymorphs | 2 |
Best hull distance | 22 meV/atom (Fe10N) |
Wall time | 21.6 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 | 24,590 |
Generated by GGen | 24,227 |
From Alexandria | 224 |
From the Materials Project | 139 |
Hull distances are computed against every Co-Fe-N-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 840 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.
Fe10N in C2/m (#12), 22 meV/atom above the hull, -8.438 eV/atom, 22 atoms.
GGen Co-Fe-N-W candidate: C2/m (#12), 22 meV/atom above the hull, -8.438 eV/atom, 22 atoms
CoFe14N in Cm (#8), 26 meV/atom above the hull, -8.360 eV/atom, 32 atoms.
GGen Co-Fe-N-W candidate: Cm (#8), 26 meV/atom above the hull, -8.360 eV/atom, 32 atoms
Fe11N in C2/m (#12), 31 meV/atom above the hull, -8.427 eV/atom, 24 atoms.
GGen Co-Fe-N-W candidate: C2/m (#12), 31 meV/atom above the hull, -8.427 eV/atom, 24 atoms
The hull is drawn from every Co-Fe-N-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 Co-Fe-N-W structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 1232.3 | 95% |
Candidate relaxation gpu | 1084.7 | 84% |
Candidate generation cpu |
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
Unique formulas |
1,385 |
Subsystems covered | 15 |
Phases on the hull | 20 |
Phases within 150 meV/atom | 840 |
Exploration runs | 2 |
Last explored | 2026-08-19T07:35:50 |
E/atom (eV) |
|---|
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | Co10Fe14 | P-3m1 (#164) | trigonal | 0 | yes | new polymorph | GGen | no | -7.947 | 24 | 11.5 |
2 | Co2Fe14 | Im-3m (#229) | cubic | 0 | yes | known | GGen | no | -8.303 | 16 | 11.6 |
3 | Co3W | P6_3/mmc (#194) | hexagonal | 0 | yes | reference | MP | no | -8.652 | 8 | 11.6 |
4 | Co4Fe4 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.834 | 8 | 11.5 |
5 | Co4Fe8 | P2/m (#10) | monoclinic | 0 | yes | new polymorph | GGen | no | -8.056 | 12 | 11.6 |
6 | Co6Fe10 | Im-3m (#229) | cubic | 0 | yes | known | GGen | no | -8.003 | 16 | 11.6 |
7 | CoFe13 | C2/m (#12) | monoclinic | 0 | yes | new polymorph | GGen | no | -8.360 | 28 | 11.5 |
8 | CoFe20 | C2/m (#12) | monoclinic | 0 | yes | new composition | GGen | no | -8.385 | 42 | 11.5 |
9 | CoFe24 | C2/m (#12) | monoclinic | 0 | yes | new composition | GGen | no | -8.393 | 50 | 11.5 |
10 | CoFe3 | P4/mmm (#123) | tetragonal | 0 | yes | known | GGen | no | -8.160 | 4 | 11.6 |
11 | Fe11Co5 | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -8.082 | 16 | 11.6 |
12 | Fe13Co3 | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -8.232 | 16 | 11.6 |
13 | Fe21W | P2/m (#10) | monoclinic | 0 | yes | new composition | GGen | no | -8.646 | 22 | 11.7 |
14 | Fe2W | P6_3/mmc (#194) | hexagonal | 0 | yes | reference | MP | no | -9.977 | 12 | 12.3 |
15 | Fe3N | P6_322 (#182) | hexagonal | 0 | yes | reference | MP | no | -8.502 | 8 | 10.1 |
16 | Fe7Co | Im-3m (#229) | cubic | 0 | yes | reference | MP | no | -8.303 | 8 | 11.6 |
17 | Fe7W6 | R-3m (#166) | trigonal | 0 | yes | reference | MP | no | -10.554 | 13 | 13.1 |
18 | Fe9Co7 | Pm-3m (#221) | cubic | 0 | yes | reference | MP | no | -7.920 | 16 | 11.5 |
19 | FeN | F-43m (#216) | cubic | 0 | yes | reference | MP | no | -8.518 | 2 | 9.5 |
20 | W2N3 | Cm (#8) | monoclinic | 0 | yes | reference | MP | no | -10.540 | 10 | 11.2 |
21 | CoFe11 | P2/m (#10) | monoclinic | 0 | no | new composition | GGen | no | -8.347 | 12 | 11.5 |
22 | Co2Fe6 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -8.160 | 4 | 11.6 |
23 | Co7Fe9 | Pm-3m (#221) | cubic | 0 | no | known | GGen | no | -7.920 | 16 | 11.5 |
24 | Fe3Co | P4/mmm (#123) | tetragonal | 0 | no | reference | MP | no | -8.159 | 4 | 11.6 |
25 | Co2Fe2 | Pm-3m (#221) | cubic | 0 | no | known | GGen | no | -7.833 | 2 | 11.5 |
106.0 |
8% |
Terminal generation | 60.0 | 5% |
Hull and stability | 2.9 | 0% |
Setup and load | 2.1 | 0% |
Enumeration | 1.0 | 0% |
Finalization | 0.0 | 0% |
Total | 1298.3 | 100% |
Crystal systems |
tetragonal, orthorhombic, hexagonal |
Min element fraction | {'N': 0.04, 'Fe': 0.5} |
Max element fraction | {'W': 0.06, 'N': 0.2, 'Co': 0.35} |
Require all elements | False |
Skip existing formulas | False |
Near-hull cutoff (eV/atom) | 0.15 |
Relaxation max steps | 400 |
Relaxation optimizer | fire |
Selected stable or near-hull GGen candidates as CIF files