GGen ran 1,000 trials across 100 B-Co-Fe-V stoichiometries in 21.2 min, keeping 1,004 relaxed structures. 79 of them landed within 150 meV/atom of the convex hull, 76 of which the database had not seen before. The leading generated candidate is Co2Fe13V in Cm (#8), which sits 8 meV/atom above the hull (new composition).
GGen ran 1,000 trials across 100 B-Co-Fe-V stoichiometries in 21.2 min, keeping 1,004 relaxed structures. 79 of them landed within 150 meV/atom of the convex hull, 76 of which the database had not seen before. The leading generated candidate is Co2Fe13V in Cm (#8), which sits 8 meV/atom above the hull (new composition).
Metric | Value |
|---|---|
Chemical system | B-Co-Fe-V |
Stoichiometries | 100 |
Trials per stoichiometry | 10 |
Total trials | 1,000 |
Structures kept | 1,004 across 104 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 79 |
New compositions | 70 |
New polymorphs | 6 |
Best hull distance | 8 meV/atom (Co2Fe13V) |
Wall time | 21.2 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 | 18,953 |
Generated by GGen | 18,639 |
From Alexandria | 222 |
From the Materials Project | 92 |
Hull distances are computed against every B-Co-Fe-V 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 697 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.
Co2Fe13V in Cm (#8), 8 meV/atom above the hull, -8.379 eV/atom, 32 atoms.
GGen B-Co-Fe-V candidate: Cm (#8), 8 meV/atom above the hull, -8.379 eV/atom, 32 atoms
Co3Fe8V in P4mm (#99), 9 meV/atom above the hull, -8.245 eV/atom, 12 atoms.
GGen B-Co-Fe-V candidate: P4mm (#99), 9 meV/atom above the hull, -8.245 eV/atom, 12 atoms
Co2Fe12V in P-1 (#2), 10 meV/atom above the hull, -8.372 eV/atom, 15 atoms.
GGen B-Co-Fe-V candidate: P-1 (#2), 10 meV/atom above the hull, -8.372 eV/atom, 15 atoms
The hull is drawn from every B-Co-Fe-V 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 B-Co-Fe-V structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 1224.3 | 96% |
Candidate relaxation gpu | 1059.4 | 83% |
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 |
998 |
Subsystems covered | 15 |
Phases on the hull | 36 |
Phases within 150 meV/atom | 697 |
Exploration runs | 1 |
Last explored | 2026-08-20T07:30:58 |
E/atom (eV) |
|---|
Atoms |
|---|
Volume/atom (ų) |
|---|
1 | B2Fe4 | I4/mcm (#140) | tetragonal | 0 | yes | known | GGen | no | -8.178 | 12 | 9.0 |
2 | B8Fe8 | Cmcm (#63) | orthorhombic | 0 | yes | known | GGen | no | -7.946 | 8 | 8.0 |
3 | Co2Fe14 | Im-3m (#229) | cubic | 0 | yes | known | GGen | no | -8.303 | 16 | 11.6 |
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 | 8 | 11.5 |
6 | Co4Fe6 | P4/m (#83) | tetragonal | 0 | yes | new polymorph | GGen | no | -7.970 | 10 | 11.5 |
7 | Co5B16 | Pmma (#51) | orthorhombic | 0 | yes | reference | MP | no | -6.904 | 42 | 7.3 |
8 | Co5Fe11 | Amm2 (#38) | orthorhombic | 0 | yes | new polymorph | GGen | no | -8.082 | 32 | 11.6 |
9 | Co7Fe9 | Pm-3m (#221) | cubic | 0 | yes | known | GGen | no | -7.920 | 16 | 11.5 |
10 | CoB | Pnma (#62) | orthorhombic | 0 | yes | reference | MP | no | -7.282 | 8 | 7.7 |
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 | Fe10V | C2/m (#12) | monoclinic | 0 | yes | new composition | GGen | no | -8.568 | 22 | 11.6 |
14 | Fe10V2 | Cmmm (#65) | orthorhombic | 0 | yes | new composition | GGen | no | -8.665 | 12 | 11.7 |
15 | Fe13Co3 | P4/mmm (#123) | tetragonal | 0 | yes | reference | MP | no | -8.232 | 16 | 11.6 |
16 | Fe4V | R-3m (#166) | trigonal | 0 | yes | new polymorph | GGen | no | -8.705 | 15 | 11.8 |
17 | Fe6V2 | Fm-3m (#225) | cubic | 0 | yes | known | GGen | no | -8.750 | 16 | 11.7 |
18 | Fe7Co | Im-3m (#229) | cubic | 0 | yes | reference | MP | no | -8.303 | 8 | 11.6 |
19 | Fe9V | R-3m (#166) | trigonal | 0 | yes | new composition | GGen | no | -8.580 | 30 | 11.6 |
20 | FeB2 | Pnma (#62) | orthorhombic | 0 | yes | reference | MP | no | -7.542 | 12 | 7.2 |
21 | FeB4 | Pnnm (#58) | orthorhombic | 0 | yes | reference | MP | no | -7.213 | 10 | 7.2 |
22 | V2(Co7B2)3 | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -7.402 | 29 | 9.7 |
23 | V2B3 | Cmcm (#63) | orthorhombic | 0 | yes | reference | MP | no | -8.442 | 10 | 8.3 |
24 | V3(Co10B3)2 | Fm-3m (#225) | cubic | 0 | yes | reference | MP | no | -7.498 | 29 | 9.7 |
25 | V3B100 | P222 (#16) | orthorhombic | 0 | yes | reference | MP | no | -6.784 | 103 | 7.6 |
224.0 |
18% |
Terminal generation | 42.8 | 3% |
Hull and stability | 2.0 | 0% |
Setup and load | 1.7 | 0% |
Enumeration | 1.1 | 0% |
Finalization | 0.0 | 0% |
Total | 1271.9 | 100% |
Crystal systems |
tetragonal, orthorhombic, hexagonal |
Min element fraction | {'Fe': 0.45, 'Co': 0.1, 'V': 0.05} |
Max element fraction | {'B': 0.12, 'V': 0.25} |
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