GGen ran 1,000 trials across 100 Co-Fe-Ge stoichiometries in 23.1 min, keeping 941 relaxed structures. 38 of them landed within 150 meV/atom of the convex hull, 38 of which the database had not seen before. The leading generated candidate is Co2Fe7Ge in C2/m (#12), which sits 1 meV/atom above the hull (new composition).
GGen ran 1,000 trials across 100 Co-Fe-Ge stoichiometries in 23.1 min, keeping 941 relaxed structures. 38 of them landed within 150 meV/atom of the convex hull, 38 of which the database had not seen before. The leading generated candidate is Co2Fe7Ge in C2/m (#12), which sits 1 meV/atom above the hull (new composition).
Metric | Value |
|---|---|
Chemical system | Co-Fe-Ge |
Stoichiometries | 100 |
Trials per stoichiometry | 10 |
Total trials | 1,000 |
Structures kept | 941 across 102 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 38 |
New compositions | 30 |
New polymorphs | 8 |
Best hull distance | 1 meV/atom (Co2Fe7Ge) |
Wall time | 23.1 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 | 11,914 |
Generated by GGen | 11,696 |
From Alexandria | 144 |
From the Materials Project | 74 |
Hull distances are computed against every Co-Fe-Ge 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 764 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.
Co2Fe7Ge in C2/m (#12), 1 meV/atom above the hull, -7.877 eV/atom, 20 atoms.
GGen Co-Fe-Ge candidate: C2/m (#12), 1 meV/atom above the hull, -7.877 eV/atom, 20 atoms
Co6Fe4Ge2 in Cmcm (#63), 4 meV/atom above the hull, -7.265 eV/atom, 24 atoms.
GGen Co-Fe-Ge candidate: Cmcm (#63), 4 meV/atom above the hull, -7.265 eV/atom, 24 atoms
Co3Fe6Ge in Amm2 (#38), 9 meV/atom above the hull, -7.746 eV/atom, 20 atoms.
GGen Co-Fe-Ge candidate: Amm2 (#38), 9 meV/atom above the hull, -7.746 eV/atom, 20 atoms
The hull is drawn from every Co-Fe-Ge 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-Ge structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 1330.6 | 96% |
Candidate relaxation gpu | 1056.8 | 76% |
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 |
898 |
Subsystems covered | 7 |
Phases on the hull | 23 |
Phases within 150 meV/atom | 764 |
Exploration runs | 14 |
Last explored | 2026-08-22T08:12:36 |
E/atom (eV) |
|---|
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | Co2Fe14 | Im-3m (#229) | cubic | 0 | yes | known | GGen | no | -8.303 | 16 | 11.6 |
2 | Co2Ge | Pnma (#62) | orthorhombic | 0 | yes | reference | MP | no | -6.434 | 12 | 11.6 |
3 | Co3Fe11Ge2 | C2 (#5) | monoclinic | 0 | yes | new composition | GGen | no | -7.807 | 32 | 11.7 |
4 | Co3Fe5 | Cmmm (#65) | orthorhombic | 0 | yes | known | GGen | no | -8.003 | 16 | 11.5 |
5 | Co4Fe4 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.834 | 2 | 11.5 |
6 | Co4Fe6 | P4/m (#83) | tetragonal | 0 | yes | new polymorph | GGen | no | -7.970 | 10 | 11.5 |
7 | Co4Fe6Ge2 | P2_1/m (#11) | monoclinic | 0 | yes | new composition | GGen | no | -7.484 | 12 | 11.7 |
8 | Co4Fe9Ge3 | P-43m (#215) | cubic | 0 | yes | new composition | GGen | no | -7.515 | 16 | 11.7 |
9 | Co5Fe11 | Amm2 (#38) | orthorhombic | 0 | yes | new polymorph | GGen | no | -8.082 | 32 | 11.6 |
10 | Co7Fe9 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.920 | 16 | 11.5 |
11 | CoFe15 | Cmmm (#65) | orthorhombic | 0 | yes | known | GGen | no | -8.369 | 32 | 11.5 |
12 | CoFe3 | P4/mmm (#123) | tetragonal | 0 | yes | known | GGen | no | -8.160 | 4 | 11.6 |
13 | CoGe | P2_13 (#198) | cubic | 0 | yes | reference | MP | no | -6.074 | 8 | 12.5 |
14 | CoGe2 | Cmce (#64) | orthorhombic | 0 | yes | reference | MP | no | -5.606 | 12 | 14.7 |
15 | Fe10Ge | C2/m (#12) | monoclinic | 0 | yes | new composition | GGen | no | -8.149 | 11 | 11.6 |
16 | Fe11Ge | P2/m (#10) | monoclinic | 0 | yes | new composition | GGen | no | -8.174 | 12 | 11.6 |
17 | Fe13Co3 | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -8.232 | 16 | 11.6 |
18 | Fe19Ge | P2/m (#10) | monoclinic | 0 | yes | new composition | GGen | no | -8.280 | 20 | 11.5 |
19 | Fe3Ge | Pm-3m (#221) | cubic | 0 | yes | reference | MP | no | -7.602 | 4 | 12.0 |
20 | Fe6Ge | R-3m (#166) | trigonal | 0 | yes | new composition | GGen | no | -7.977 | 7 | 11.8 |
21 | Fe7Co | Im-3m (#229) | cubic | 0 | yes | reference | MP | no | -8.303 | 8 | 11.6 |
22 | FeCo2Ge | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -6.987 | 4 | 11.8 |
23 | FeGe | P6/mmm (#191) | hexagonal | 0 | yes | reference | MP | no | -6.658 | 6 | 14.4 |
24 | Co2Fe6 | P4/mmm (#123) | tetragonal | 0 | no | known | GGen | no | -8.160 | 4 | 11.6 |
25 | CoFe24 | C2/m (#12) | monoclinic | 0 | no | new composition | GGen | no | -8.393 | 50 | 11.5 |
177.7 |
13% |
Terminal generation | 51.4 | 4% |
Setup and load | 2.8 | 0% |
Hull and stability | 2.2 | 0% |
Enumeration | 0.5 | 0% |
Finalization | 0.0 | 0% |
Total | 1387.5 | 100% |
Crystal systems |
tetragonal, hexagonal |
Min element fraction | {'Fe': 0.3, 'Co': 0.2} |
Max element fraction | {'Ge': 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