Our shortlist contains 19 candidates below 20 meV/atom on the model hull: 17 rare-earth-free and two rare-earth-containing. Three contain cobalt and 16 are Co-free. The list balances energy, predicted FM-aligned Jₛ, repeat evidence and chemical/framework diversity; it is a screening portfolio, not a hard-magnet performance ranking.
The ledger contains 2,153 proposed designs and 2,024 routine relaxation attempts. There are 1,013 reconciled routine hulls, with 77 initial routine endpoints below 20 meV/atom. Separately, 124 independent confirmation relaxations produced 96 geometry passes. The 306 paired hull/Jₛ comparison endpoints include 145 below 20 meV/atom, across history, controls and repeats; these are not counts of distinct novel frameworks.
Fe46Si8B20 leads on model energy at 0.000 meV/atom and predicted Jₛ 1.2761 T. Fe72Si12B32 follows at 1.674 meV/atom and 1.2807 T with completed selected-library evidence. Fe60Co2B32 intergrowth offers 7.518 meV/atom and 1.6419 T. Fe126W11B40 is a Co-free Fe-rich alternative at 9.264 meV/atom and 1.5645 T. The Nd16Fe112B4 clustered ordering reaches 12.435 meV/atom and 1.6741 T, with known Nd2Fe14B metal-scaffold ancestry.
Ti6Fe23B8 remains a selective magnetic-validation priority. The researcher reports directional MAE +0.888 MJ/m³, Jₛ 0.790 T and κ≈1.34 for the named composition. Its plotted model values are 5.074 meV/atom and 1.0662 T. The external exact CIF and raw DFT files are unavailable, so these external values are kept separate from our exact-CIF model results.
Fourteen points are numerically non-dominated across all 306 paired endpoints; this includes binary controls, repeats and held results. The five-point shortlist frontier below contains the selected energy–Jₛ tradeoffs. Novelty is categorical evidence, not an invented numerical score. Differences of a few meV/atom are not established physical advantages.
Open the updated Project 14 Pareto views
Letters A–S match the charts and link to exact relaxed CIFs. The borosilicide S remains a provisional diversity lead. Confirmation-sensitive structures and known-parent derivatives are explicitly labeled; a new filling or ordering does not automatically count as a new underlying framework.
Compare all 19 shortlisted candidates
ID / role | Candidate / exact CIF | Hull (meV/atom) | Predicted FM Jₛ (T) | Evidence / priority |
|---|---|---|---|---|
A |
Fe₄₆Si₈B₂₀ remains at 0.000 meV/atom with predicted FM-aligned Jₛ 1.2761 T. The original exact relaxed CIF and both independent Orb/hull repeats now pass their complete declared finite novelty scopes: 2,301 frozen library representatives and the selected 108-entry AFLOW database scope for each exact CIF. The repeats are at 0.001 and 0.005 meV/atom. All 4,602 repeat-library comparisons are resolved as non-matches, including eight recovered timeout directions; none remains pending or unknown. These checks cover occupied prototypes and species-erased occupied frameworks. They do not prove global novelty or a new parent scaffold.
The database scope covers stored atom-count multiples of 74 through the queried maximum and exact B–Fe–Si ternaries; other stored atom counts, continuous prototype parameters, disorder realizations and complete literature are excluded. The representative library supplements these checks without exhausting the exclusions. The AAAB structure joins known Cr₅B₃-type and V₈SiB₄-type building blocks: the hypothesis concerns their occupied junction sequence, not newly discovered building blocks.
Fe72Si12B32 (AAB) and both exact independently relaxed repeats have completed the selected 2,301-representative library audit: 6,903 candidate–reference checks, all non-matches, zero unresolved and zero flagged. The original timeout was resolved on its own exact CIF with unchanged matcher tolerances; repeat verdicts were not substituted. This is a finite library pass, not a complete database/literature audit or proof of a new parent framework. Known Cr5B3-type / V8SiB4-type (M5/M8) building blocks remain explicit. Original and repeat hulls are 1.674, 1.669 and 1.671 meV/atom; original predicted FM-aligned Jₛ is 1.2807 T, with repeat Jₛ unmeasured. No new family credit. The Co/Nb and C16 scopes remain incomplete.
The four AAB/ABB Si/P junction candidates each have two independently relaxed endpoints below 20 meV/atom that pass the primary tetragonal and 3D gates. The Si AAB original and both repeats additionally pass the selected finite library audit. The other three occupied-framework novelty assessments remain unresolved. Their known Cr5B3-type and V8SiB4-type building blocks confer no new parent-family credit. Repeat Jₛ was not calculated.
Routine novelty screening uses Ouro same-formula matching plus local ancestry/history. Exceptional candidates receive explicit finite AFLOW audits. Same-formula non-matching does not establish a new underlying framework. The Co/Nb selected-library run for Nb8Fe81Co2B26 and its two repeats has ended: 6,738 of 6,903 comparisons are resolved non-matches, with 165 unresolved and zero positive flags. This is an incomplete novelty assessment, not a pass. The separate C16 database audit is still in progress; no pass is inferred there either.
The original Fe18CoSi8B4 endpoint is SG111 at the primary 0.01 Å tolerance. Its two repeats pass that primary tetragonal and 3D gate with hulls 16.048 and 16.046 meV/atom; both lose tetragonal symmetry at 0.005 Å. Framework novelty, repeat magnetization and MAE remain unmeasured or unresolved.
Ti2Fe18B and the other provisional Ti site-filling lead remain on hold after their independent repeats lost primary tetragonal symmetry. The approximately 1 meV/atom Al-rich W–B candidate remains an energy benchmark after user-reported weak MAE; no unsaved numeric MAE value is invented. Binary Fe–B controls remain visible in the full plot, with no assumed permanent-magnet performance.
All 306 paired endpoints and 2,291 current trial entries have been reconciled. Six newly completed hulls and four new magnetic predictions add no sub-20 candidate. The shortlist retains 19 candidates; the full numerical frontier contains 14 points and the shortlist-only frontier five. Both frontiers are unchanged.
The eight R8Fe88X4B8 fillings/orderings (R = Nd or Sm; X = Co or Ti) are now fully screened. All converged and remained 3D-connected. Six retained primary tetragonal SG122 and received exact-CIF hull calculations; all six are above target. The four Co variants span 31.387–32.723 meV/atom with predicted FM-aligned Jₛ 1.8157–1.8240 T. The two surviving Ti variants are at 55.444 and 57.219 meV/atom; both lose tetragonal symmetry at 0.005 Å, and magnetization was not allocated under the existing 40 meV screening gate. Two other Ti variants became orthorhombic SG43. These are eight orderings on the existing RE cage-vacancy support, with computational Y2Fe23B3 ancestry. No new-framework credit; these fixed recipes are retired.
ID / role | Candidate / exact CIF | Hull (meV/atom) | Predicted FM Jₛ (T) | Evidence / priority |
|---|---|---|---|---|
ra742_Nd_Co_Fe4_0 |
The four Co variants also fail to improve the recorded parent endpoints on either model objective: the Nd parent is 29.432 meV/atom and 1.8352 T, and the Sm parent is 30.421 meV/atom and 1.8406 T. Historical reference inventories were not synchronized, so small hull differences are screening observations rather than established physical advantages. Rare-earth magnetic estimates do not validate orbital or sublattice contributions.
The report contains all 306 paired endpoints, 19 shortlisted candidates, 135 public exact-CIF links, independent repeats and failed-trial evidence. Filter by composition, rare-earth content, cobalt, energy threshold or held results. Older outcomes remain in the evidence archive; the JSON preserves the numeric snapshot and evidence labels.
Open the searchable 306-endpoint report
Download the frozen comparison data (JSON)
Energy and FM-aligned Jₛ are Orb/Ouro screening predictions. They do not establish coercivity, anisotropy, magnetic order, finite-temperature stability or synthesizability. Zero model hull is not a synthesis guarantee. Rare-earth orbital and sublattice contributions are not validated by these aligned-moment estimates. Selective MAE work remains with the researcher; REMAG stays paused.
Maintain parallel searches across Si/B junctions, intergrowth, Co-free Fe-rich W/Nb borides, Ti systems and rare-earth-containing candidates. Cobalt remains eligible. Favor plausible anisotropy mechanisms alongside low energy and high Jₛ; the user handles selective MAE validation. Pending hulls and incomplete novelty audits receive no promotion.
User-requested r67 portfolio: 2153 designs, 2024 routine relaxations, 1013 reconciled routine hulls; 306 paired endpoints, 19 shortlisted candidates. Latest RE cage Co/Ti screen completed: six hulls above target, four magnetic predictions and two symmetry failures; no new shortlist entries. Co/Nb finite novelty remains unresolved (165 comparisons). Rankings unchanged. Evidence scopes and supplied MAE kept distinct; 135 public exact-CIF links. Project 14 palette. ML screening, not confirmed hard magnets. SHA256 9d021a7f030b64b4af8083def2ea48e369dc9e07f0c4af8d33b9dde118b762fe
User-requested r67 portfolio: 2153 designs, 2024 routine relaxations, 1013 reconciled routine hulls; 306 paired endpoints, 19 shortlisted candidates. Latest RE cage Co/Ti screen completed: six hulls above target, four magnetic predictions and two symmetry failures; no new shortlist entries. Co/Nb finite novelty remains unresolved (165 comparisons). Rankings unchanged. Evidence scopes and supplied MAE kept distinct; 135 public exact-CIF links. Project 14 palette. ML screening, not confirmed hard magnets. SHA256 45c29904bf6f21993bbc091edeb9d5a8c0f6c54a3581b261ff260c7532af6820
5.074 |
1.0662 |
User-reported directional MAE +0.888 MJ/m³, Jₛ 0.790 T and κ≈1.34 for this named composition. Exact external CIF and raw DFT files unavailable. Published Ti-family ancestry; no new-family claim. |
B | 0.000 | 1.2761 | Reported zero model hull; two independent Orb/hull repeats pass. Original and both exact repeat CIFs now pass 2,301-representative library and selected 108-entry database checks. Known M5/M8 building blocks; finite occupied-sequence evidence, no new parent-family credit. MAE unknown. |
C | 7.518 | 1.6419 | Retained historical intergrowth lead with high predicted Jₛ. Earlier novelty scope remains separate; no measured hardness or synthesis claim. |
D | 9.264 | 1.5645 | Fe-rich W–B lead; two independent Orb/hull repeats pass. Known tau metal scaffold; occupied-framework novelty unresolved. No MAE transferred from the Al variant. |
E | 16.817 | 1.5478 | Two independent repeats and completed declared finite AFLOW scope. Cr23C6-derived interstitial framework; finite-scope result is not universal novelty. |
F | 17.730 | 1.5754 | Two independent Orb/hull repeats pass. Existing cube-B2 support with Ti/Nb filling; framework novelty unresolved. |
G | 19.257 | 1.4991 | Two independent Orb/hull repeats pass. The selected library scope remains incomplete; recovery of previously unresolved comparisons is not a novelty verdict. Cr23C6-derived ancestry remains explicit. No AFLOW pass is claimed. Selected-library update: 165 of 6,903 comparisons unresolved across original and two repeats; novelty remains incomplete. |
H | 16.170 | 1.5437 | Two independent Orb/hull repeats pass at 16.173 and 16.172 meV/atom. Tetragonal at 0.005/0.01/0.02 Å. Existing Cr23C6-derived cage support; global framework novelty unresolved. |
I | 17.608 | 1.5189 | Two independent Orb/hull repeats pass at 17.597 and 17.602 meV/atom. Tetragonal at 0.01/0.02 Å, monoclinic at 0.005 Å. Existing cage support; global framework novelty unresolved. |
J | 12.435 | 1.6741 | Rare-earth lead after a separately disclosed tighter continuation protocol. Known Nd2Fe14B metal scaffold; occupied-framework novelty unresolved. RE orbital/sublattice contributions are not validated by aligned-moment Jₛ. |
K | 13.614 | 1.6736 | Alternative vacancy ordering in the same rare-earth lineage. Refined exact-CIF hull and magnetic estimates; no new-family credit and no independent MAE validation. |
L | 18.236 | 1.3688 | Completed finite AFLOW scope and independent repeats; known tau-scaffold derivative. Kept separately from the user-reported low-MAE, more Al-rich candidate. |
M | 9.392 | 1.3123 | Two independent Orb/hull repeats pass. Cr5B3-derived ligand-vacancy arrangement; framework novelty unresolved. |
N | 2.065 | 0.6764 | Completed declared finite AFLOW scope and independent repeats. MAB-derived diversity comparator; lower predicted Jₛ limits its energy–magnetization ranking. |
O | 1.674 | 1.2807 | Two independent Orb/hull repeats pass at 1.669 and 1.671 meV/atom. Original and both exact repeats pass the selected 2,301-representative library (6,903 non-matches; zero unresolved). Known M5/M8 blocks; no full database/global novelty or new parent-family claim. Repeat Jₛ and MAE unmeasured; one repeat loses tetragonal symmetry at 0.005 Å. |
P | 7.070 | 1.2968 | Two independent Orb/hull repeats pass at 7.066 and 7.069 meV/atom. Primary tetragonal basin and 3D connectivity recovered. One repeat is orthorhombic at 0.005 Å. Known M5/M8 blocks; occupied-framework novelty unresolved, no new parent-family credit. MAE unknown; repeat Jₛ unmeasured. |
Q | 6.263 | 1.2216 | Two independent Orb/hull repeats pass at 6.255 and 6.254 meV/atom. Primary tetragonal basin and 3D connectivity recovered. Known M5/M8 blocks; occupied-framework novelty unresolved, no new parent-family credit. MAE unknown; repeat Jₛ unmeasured. |
R | 10.671 | 1.2491 | Two independent Orb/hull repeats pass at 10.664 and 10.675 meV/atom. Primary tetragonal basin and 3D connectivity recovered. Known M5/M8 blocks; occupied-framework novelty unresolved, no new parent-family credit. MAE unknown; repeat Jₛ unmeasured. |
S | 16.047 | 0.8906 | Two independent Orb/hull repeats at 16.048 and 16.046 meV/atom pass the primary 0.01 Å tetragonal and 3D gates; both fail tetragonal symmetry at 0.005 Å. Existing ordered borosilicide support; framework novelty unresolved. Original predicted Jₛ 0.8906 T; repeat Jₛ and MAE unmeasured. |
31.608 |
1.8192 |
Converged, 3D-connected and SG122 at the primary 0.01 Å tolerance. Exact-CIF Ouro hull above 20 meV/atom; not shortlisted. FM-aligned Jₛ predicted; no independent repeat or MAE result. Ouro same-formula screen returned new composition; this does not establish framework novelty. Existing campaign RE cage-vacancy occupied framework with computational Y2Fe23B3 ancestry; no new-framework credit or parent-property transfer. |
ra742_Nd_Ti_Fe4_0 | Nd₈Ti₄Fe₈₈B₈ | Not run | Not run | Converged and 3D-connected; orthorhombic SG43 at the primary 0.01 Å tolerance. Failed tetragonal gate; hull and magnetization not allocated. Existing campaign RE cage-vacancy occupied framework with computational Y2Fe23B3 ancestry; no new-framework credit or parent-property transfer. |
ra742_Nd_Co_Fe4_1 | 31.387 | 1.8171 | Converged, 3D-connected and SG122 at the primary 0.01 Å tolerance. Exact-CIF Ouro hull above 20 meV/atom; not shortlisted. FM-aligned Jₛ predicted; no independent repeat or MAE result. Ouro same-formula screen returned new composition; this does not establish framework novelty. Existing campaign RE cage-vacancy occupied framework with computational Y2Fe23B3 ancestry; no new-framework credit or parent-property transfer. |
ra742_Nd_Ti_Fe4_1 | 57.219 | Not run | Converged, 3D-connected and SG122 at the primary 0.01 Å tolerance. Exact-CIF Ouro hull above 20 meV/atom; not shortlisted. Loses tetragonal symmetry at 0.005 Å. Magnetization not allocated because hull exceeds the existing 40 meV screening gate. Ouro same-formula screen returned new composition; this does not establish framework novelty. Existing campaign RE cage-vacancy occupied framework with computational Y2Fe23B3 ancestry; no new-framework credit or parent-property transfer. |
ra742_Nd_Co_Fe4_2 | 32.224 | 1.8157 | Converged, 3D-connected and SG122 at the primary 0.01 Å tolerance. Exact-CIF Ouro hull above 20 meV/atom; not shortlisted. FM-aligned Jₛ predicted; no independent repeat or MAE result. Ouro same-formula screen returned new composition; this does not establish framework novelty. Existing campaign RE cage-vacancy occupied framework with computational Y2Fe23B3 ancestry; no new-framework credit or parent-property transfer. |
ra742_Nd_Ti_Fe4_2 | 55.444 | Not run | Converged, 3D-connected and SG122 at the primary 0.01 Å tolerance. Exact-CIF Ouro hull above 20 meV/atom; not shortlisted. Loses tetragonal symmetry at 0.005 Å. Magnetization not allocated because hull exceeds the existing 40 meV screening gate. Ouro same-formula screen returned new composition; this does not establish framework novelty. Existing campaign RE cage-vacancy occupied framework with computational Y2Fe23B3 ancestry; no new-framework credit or parent-property transfer. |
ra742_Sm_Co_Fe4_0 | 32.723 | 1.8240 | Converged, 3D-connected and SG122 at the primary 0.01 Å tolerance. Exact-CIF Ouro hull above 20 meV/atom; not shortlisted. FM-aligned Jₛ predicted; no independent repeat or MAE result. Ouro same-formula screen returned new composition; this does not establish framework novelty. Existing campaign RE cage-vacancy occupied framework with computational Y2Fe23B3 ancestry; no new-framework credit or parent-property transfer. |
ra742_Sm_Ti_Fe4_0 | Sm₈Ti₄Fe₈₈B₈ | Not run | Not run | Converged and 3D-connected; orthorhombic SG43 at the primary 0.01 Å tolerance. Failed tetragonal gate; hull and magnetization not allocated. Existing campaign RE cage-vacancy occupied framework with computational Y2Fe23B3 ancestry; no new-framework credit or parent-property transfer. |
User-requested r67 portfolio: 2153 designs, 2024 routine relaxations, 1013 reconciled routine hulls; 306 paired endpoints, 19 shortlisted candidates. Latest RE cage Co/Ti screen completed: six hulls above target, four magnetic predictions and two symmetry failures; no new shortlist entries. Co/Nb finite novelty remains unresolved (165 comparisons). Rankings unchanged. Evidence scopes and supplied MAE kept distinct; 135 public exact-CIF links. Project 14 palette. ML screening, not confirmed hard magnets. SHA256 15618749d8c89db58a356a07213fb8a3084a0c7897b71c85b658d11e86686817
User-requested r67 portfolio: 2153 designs, 2024 routine relaxations, 1013 reconciled routine hulls; 306 paired endpoints, 19 shortlisted candidates. Latest RE cage Co/Ti screen completed: six hulls above target, four magnetic predictions and two symmetry failures; no new shortlist entries. Co/Nb finite novelty remains unresolved (165 comparisons). Rankings unchanged. Evidence scopes and supplied MAE kept distinct; 135 public exact-CIF links. Project 14 palette. ML screening, not confirmed hard magnets. SHA256 50c99d459ed80ca4c03f6fc9f997897f8ac03f4e98b70faaa25aa0ccdbd1a11c


Tetragonal boride portfolio: 19 shortlisted candidates, 306 paired model results, Project 14 Pareto charts and 135 exact CIF links. Updated through 2,153 designs, 2,024 routine relaxations and 1,013 routine hulls. Novelty, repeats and supplied MAE distinguished.