Density-functional and global optimization study of copper–tin core-shell clusters
Bibliographic record
Abstract
We obtained minimum-energy structures for 13 [Formula: see text] (p = 1–4) species by a combined taboo search and density functional theory (DFT) approach. The putative global minima are all [Formula: see text] core-shell structures. There is a stabilization energy on the order of 0.5 to 1.0 eV associated with completion of the outer shell of Sn atoms. The stabilization associated with electronic shell closing is also on the order of 0.5 to 1.0 eV. [Formula: see text] has both a closed atomic shell and a closed electronic shell, and it is extrastable. We found two or more isomers within 0.6 eV of the global minimum for all 13 species except [Formula: see text].
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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 teacher head, 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".