New magnetic topological materials from high-throughput search
Bibliographic record
Abstract
We conducted a high-throughput search for topological magnetic materials across 522 new, experimentally reported commensurate magnetic structures from MAGNDATA, doubling the number of available materials on the Topological Magnetic Materials database. This brings up to date the previous studies. For each material, we performed first-principles electronic calculations and diagnosed the topology as a function of the Hubbard U parameter. Our high-throughput calculation led us to the prediction of 250 experimentally relevant topologically nontrivial materials, which represent 47.89% of the newly analyzed materials. We present five remarkable examples of these materials, each showcasing a different topological phase: Mn 2 AlB 2 (BCSID 1.508), which exhibits a nodal line semimetal to topological insulator transition as a function of SOC; CaMnSi (BCSID 0.599), a narrow gap axion insulator; UAsS (BCSID 0.594), a 5 f -orbital Weyl semimetal; CsMnF 4 (BCSID 0.327), a material presenting a new type of quasi-symmetry protected closed nodal surface; and FeCr 2 S 4 (BCSID 0.613), a symmetry-enforced semimetal with double Weyls and spin-polarized surface states.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.003 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.004 | 0.002 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.002 | 0.002 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.005 | 0.001 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".