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 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) | 0.005 | 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".