GGen ran 1,500 trials across 100 Fe-W stoichiometries in 25.1 min, keeping 1,491 relaxed structures. 41 of them landed within 150 meV/atom of the convex hull, 39 of which the database had not seen before. The leading generated candidate is Fe12W in C2/m (#12), which sits 1 meV/atom above the hull (new composition).
GGen ran 1,500 trials across 100 Fe-W stoichiometries in 25.1 min, keeping 1,491 relaxed structures. 41 of them landed within 150 meV/atom of the convex hull, 39 of which the database had not seen before. The leading generated candidate is Fe12W in C2/m (#12), which sits 1 meV/atom above the hull (new composition).
Metric | Value |
|---|---|
Chemical system | Fe-W |
Stoichiometries | 100 |
Trials per stoichiometry | 15 |
Total trials | 1,500 |
Structures kept | 1,491 across 102 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 41 |
New compositions | 35 |
New polymorphs | 4 |
Best hull distance | 1 meV/atom (Fe12W) |
Wall time | 25.1 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 | 7,635 |
Generated by GGen | 7,564 |
From Alexandria | 50 |
From the Materials Project | 21 |
Hull distances are computed against every Fe-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 149 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.
Fe12W in C2/m (#12), 1 meV/atom above the hull, -8.790 eV/atom, 26 atoms.
GGen Fe-W candidate: C2/m (#12), 1 meV/atom above the hull, -8.790 eV/atom, 26 atoms
Fe17W in C2/m (#12), 2 meV/atom above the hull, -8.691 eV/atom, 36 atoms.
GGen Fe-W candidate: C2/m (#12), 2 meV/atom above the hull, -8.691 eV/atom, 36 atoms
Fe17W3 in P-4m2 (#115), 13 meV/atom above the hull, -9.116 eV/atom, 20 atoms.
GGen Fe-W candidate: P-4m2 (#115), 13 meV/atom above the hull, -9.116 eV/atom, 20 atoms
The hull is drawn from every Fe-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 Fe-W structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 1469.1 | 98% |
Candidate relaxation gpu | 1321.7 | 88% |
Candidate generation cpu |
Parameter | Value |
|---|---|
Min atoms | 2 |
Max atoms | 20 |
Trials per composition | 15 |
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 |
183 |
Subsystems covered | 3 |
Phases on the hull | 3 |
Phases within 150 meV/atom | 149 |
Exploration runs | 1 |
Last explored | 2026-09-06T02:32:42 |
E/atom (eV) |
|---|
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | Fe21W | P2/m (#10) | monoclinic | 0 | yes | new composition | GGen | no | -8.646 | 22 | 11.7 |
2 | Fe2W | P6_3/mmc (#194) | hexagonal | 0 | yes | reference | MP | no | -9.977 | 12 | 12.3 |
3 | Fe7W6 | R-3m (#166) | trigonal | 0 | yes | reference | MP | no | -10.554 | 13 | 13.1 |
4 | Fe20W | C2/m (#12) | monoclinic | 0 | no | new composition | GGen | no | -8.656 | 42 | 11.7 |
5 | Fe23W | Cmmm (#65) | orthorhombic | 0 | no | new composition | GGen | no | -8.628 | 48 | 11.6 |
6 | Fe14W | C2/m (#12) | monoclinic | 1 | no | new composition | GGen | no | -8.744 | 30 | 11.8 |
7 | Fe15W | C2/m (#12) | monoclinic | 1 | no | new composition | GGen | no | -8.724 | 32 | 11.7 |
8 | Fe28W | P-1 (#2) | triclinic | 1 | no | new composition | GGen | no | -8.595 | 29 | 11.6 |
9 | Fe13W | C2/m (#12) | monoclinic | 1 | no | new polymorph | GGen | no | -8.765 | 28 | 11.8 |
10 | Fe12W | C2/m (#12) | monoclinic | 1 | no | new composition | GGen | yes | -8.790 | 26 | 11.8 |
11 | Fe11W | I4/mmm (#139) | tetragonal | 2 | no | new composition | GGen | no | -8.819 | 24 | 11.8 |
12 | Fe10W | C2/m (#12) | monoclinic | 2 | no | new composition | GGen | no | -8.854 | 22 | 11.9 |
13 | Fe25W2 | C2/m (#12) | monoclinic | 2 | no | new composition | GGen | no | -8.776 | 54 | 11.8 |
14 | Fe17W | C2/m (#12) | monoclinic | 2 | no | new composition | GGen | yes | -8.691 | 36 | 11.7 |
15 | Fe26W2 | P-1 (#2) | triclinic | 3 | no | new polymorph | GGen | no | -8.763 | 28 | 11.8 |
16 | Fe23W2 | P-1 (#2) | triclinic | 3 | no | new composition | GGen | no | -8.803 | 25 | 11.8 |
17 | Fe9W | C2/m (#12) | monoclinic | 3 | no | new composition | GGen | no | -8.895 | 20 | 11.9 |
18 | Fe16W2 | C2/m (#12) | monoclinic | 4 | no | new composition | GGen | no | -8.946 | 18 | 12.0 |
19 | Fe8W | C2/m (#12) | monoclinic | 4 | no | new composition | GGen | no | -8.946 | 18 | 12.0 |
20 | Fe22W2 | C2/m (#12) | monoclinic | 4 | no | new composition | GGen | no | -8.817 | 48 | 11.8 |
21 | Fe18W2 | C2/m (#12) | monoclinic | 5 | no | new composition | GGen | no | -8.893 | 40 | 11.9 |
22 | Fe14W2 | I4/mmm (#139) | tetragonal | 6 | no | known | GGen | no | -9.008 | 16 | 12.0 |
23 | Fe13W2 | C2/m (#12) | monoclinic | 7 | no | new composition | GGen | no | -9.045 | 30 | 12.1 |
24 | Fe12W2 | C2/m (#12) | monoclinic | 8 | no | new polymorph | GGen | no | -9.089 | 14 | 12.1 |
25 | Fe6W | C2/m (#12) | monoclinic | 8 | no | new polymorph | GGen | no | -9.089 | 14 | 12.1 |
245.4 |
16% |
Terminal generation | 30.1 | 2% |
Setup and load | 3.9 | 0% |
Hull and stability | 1.1 | 0% |
Enumeration | 0.1 | 0% |
Finalization | 0.0 | 0% |
Total | 1504.2 | 100% |
Crystal systems |
tetragonal, hexagonal |
Require all elements | False |
Skip existing formulas | False |
Near-hull cutoff (eV/atom) | 0.15 |
Relaxation max steps | 400 |
Relaxation optimizer | fire |
Random seed | 20260906 |