Exploratory synthesis of new heavy main group chalcogenides
Bibliographic record
Abstract
We have recently commenced to investigate mixed valent tin chalcogenides as well as polychalcogenides, namely SrSn/sub 2/Se/sub 4/, Sr/sub 2/SnSe/sub 5/, Ba/sub 2/SnSe/sub 5/, and Ba/sub 2/SnTe/sub 5/. These materials exhibit (calculated and in part experimentally confirmed) band gaps between 0.2 eV (Ba/sub 2/SnTe/sub 5/) and 1.2 eV (Ba/sub 2/SnSe/sub 5/). Molecular units are predominant in these materials, namely SnSe/sub 4//sup 4-/ tetrahedra, Sn/sub 3/Se/sub 10//sup 8-/ and Sn/sub 3/Te/sub 10//sup 8u/ilding blocks, respectively, as well as Se/sub 3//sup 2-/ and Te/sub 5//sup 4-/ units. Three-dimensionally interconnected covalent networks were found in the new quaternaries Ba/sub 3/Cu/sub 2/Sn/sub 3/Se/sub 10/, BaCu/sub 2/SnSe/sub 4/, and BaAg/sub 2/SnSe/sub 4/, including the Ba/sup 2+/ cations in one-dimensional channels. Despite the small band gaps (e.g., 0.2 eV for BaAg/sub 2/SnSe/sub 4/), the as-prepared samples exhibit rather small electrical conductivities, but large Seebeck coefficients (above +500 /spl mu/V/K at 300 K). Our most recently discovered polytellurides Ba/sub 3/Cu/sub 14-/spl delta//Te/sub 12/ and Ba/sub 2/Cu/sub 4-/spl delta//Te/sub 5/ comprising extended Cu atom substructures appear to have thermoelectric properties superior to the tin chalcogenides.
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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 | 0.000 | 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) | 0.002 | 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".