GGen ran 1,500 trials across 100 Fe-Mn-Sb stoichiometries in 33.3 min, keeping 1,497 relaxed structures. 79 of them landed within 150 meV/atom of the convex hull, 78 of which the database had not seen before. The leading generated candidate is Fe19Mn in P-1 (#2), which sits 5 meV/atom above the hull (new composition).
Metric | Value |
|---|---|
Chemical system | Fe-Mn-Sb |
Stoichiometries | 100 |
Trials per stoichiometry | 15 |
Total trials | 1,500 |
Structures kept | 1,497 across 103 formulas |
Failed stoichiometries | 0 |
Phases on the hull | 0 |
Phases within 150 meV/atom | 79 |
New compositions | 74 |
New polymorphs | 4 |
Best hull distance | 5 meV/atom (Fe19Mn) |
Wall time | 33.3 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 | 7,895 |
Generated by GGen | 7,709 |
From Alexandria | 130 |
From the Materials Project | 56 |
Hull distances are computed against every Fe-Mn-Sb 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 | E/atom (eV) | Atoms |
|---|
Showing the 25 closest of 268 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.
Fe19Mn in P-1 (#2), 5 meV/atom above the hull, -8.468 eV/atom, 20 atoms.
GGen Fe-Mn-Sb candidate: P-1 (#2), 5 meV/atom above the hull, -8.468 eV/atom, 20 atoms
Fe8Mn8 in Pmma (#51), 11 meV/atom above the hull, -8.792 eV/atom, 4 atoms.
GGen Fe-Mn-Sb candidate: Pmma (#51), 11 meV/atom above the hull, -8.792 eV/atom, 4 atoms
Fe16Sb in P-1 (#2), 15 meV/atom above the hull, -8.171 eV/atom, 17 atoms.
GGen Fe-Mn-Sb candidate: P-1 (#2), 15 meV/atom above the hull, -8.171 eV/atom, 17 atoms
The hull is drawn from every Fe-Mn-Sb 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-Mn-Sb structure in the GGen database
Stage | Seconds | Share |
|---|---|---|
Candidate generation | 1932.9 | 97% |
Terminal generation | 59.5 | 3% |
Hull and stability |
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 |
348 |
Subsystems covered | 7 |
Phases on the hull | 3 |
Phases within 150 meV/atom | 268 |
Exploration runs | 2 |
Last explored | 2026-08-01T19:55:43 |
Volume/atom (ų)
1 | Fe6Mn2 | P6_3/mmc (#194) | hexagonal | 0 | yes | new polymorph | -8.623 | 8 | 10.5 |
2 | FeSb2 | Pnnm (#58) | orthorhombic | 0 | yes | reference | -5.603 | 6 | 20.2 |
3 | MnSb | P6_3/mmc (#194) | hexagonal | 0 | yes | reference | -6.663 | 4 | 20.3 |
4 | FeSb3 | Im-3 (#204) | cubic | 3 | no | reference | -5.233 | 16 | 24.2 |
5 | Fe27Mn | P-1 (#2) | triclinic | 3 | no | new composition | -8.459 | 28 | 11.4 |
6 | Fe19Mn | P-1 (#2) | triclinic | 5 | no | new composition | -8.468 | 20 | 11.4 |
7 | Fe16Mn | P-1 (#2) | triclinic | 6 | no | new composition | -8.474 | 17 | 11.4 |
8 | Fe14Mn | P-1 (#2) | triclinic | 6 | no | new composition | -8.479 | 15 | 11.4 |
9 | Fe18Mn | C2/m (#12) | monoclinic | 7 | no | new composition | -8.468 | 19 | 11.4 |
10 | Fe13Mn | P-1 (#2) | triclinic | 7 | no | new composition | -8.482 | 14 | 11.4 |
11 | Fe12Mn | P-1 (#2) | triclinic | 7 | no | new composition | -8.486 | 13 | 11.4 |
12 | Fe25Mn2 | P-1 (#2) | triclinic | 8 | no | new composition | -8.483 | 27 | 11.4 |
13 | Mn27Sb26 | P1 (#1) | triclinic | 8 | no | reference | -6.702 | 53 | 20.0 |
14 | Fe11Mn | C2/m (#12) | monoclinic | 9 | no | new composition | -8.490 | 24 | 11.4 |
15 | Fe12Mn4 | Pmmn (#59) | orthorhombic | 9 | no | known | -8.614 | 8 | 10.5 |
16 | Fe10Mn | P-1 (#2) | triclinic | 9 | no | new composition | -8.495 | 11 | 11.4 |
17 | Fe18Mn2 | P-1 (#2) | triclinic | 10 | no | new composition | -8.501 | 20 | 11.4 |
18 | Fe9Mn | P-1 (#2) | triclinic | 10 | no | new composition | -8.500 | 10 | 11.4 |
19 | Fe8Mn8 | Pmma (#51) | orthorhombic | 11 | no | new polymorph | -8.792 | 4 | 10.5 |
20 | Fe16Mn2 | R-3 (#148) | trigonal | 11 | no | new composition | -8.508 | 27 | 11.4 |
21 | Fe8Mn | R-3 (#148) | trigonal | 11 | no | new composition | -8.508 | 27 | 11.4 |
22 | Fe17Sb | P2/m (#10) | monoclinic | 12 | no | new composition | -8.187 | 18 | 12.0 |
23 | Fe25Mn3 | P1 (#1) | triclinic | 13 | no | new composition | -8.503 | 28 | 11.4 |
24 | Fe17Mn2 | P-1 (#2) | triclinic | 13 | no | new composition | -8.502 | 19 | 11.4 |
25 | Fe11Mn9 | Pm (#6) | monoclinic | 13 | no | new composition | -8.754 | 20 | 10.4 |
2.2
0% |
Setup and load | 0.7 | 0% |
Enumeration | 0.3 | 0% |
Finalization | 0.0 | 0% |
Total | 1995.5 | 100% |
Crystal systems |
tetragonal |
Min element fraction | {'Fe': 0.5} |
Require all elements | False |
Skip existing formulas | False |
Near-hull cutoff (eV/atom) | 0.15 |
Relaxation max steps | 400 |
Relaxation optimizer | fire |
GGen ran 1,500 trials across 100 Fe-Mn-Sb stoichiometries in 33.3 min, keeping 1,497 relaxed structures. 79 of them landed within 150 meV/atom of the convex hull, 78 of which the database had not seen before. The leading generated candidate is Fe19Mn in P-1 (#2), which sits 5 meV/atom above the hull (new composition).