Unusual Sb–Sb bonding in high temperature thermoelectric materials
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Bibliographic record
Abstract
The emerging families of advanced thermoelectrics are dominated by antimonides and tellurides. Because the structures of the tellurides are mostly composed of NaCl-related motifs, they do not contain any Te-Te bonds, and all of the antimonide structures exhibit Sb-Sb bonds of various lengths. Taking all Sb-Sb distances shorter than 3.2 A into account, the Sb atom substructures are Sb(2) (4-) pairs in beta-Zn(4)Sb(3), linear Sb(3) (7-) units in Yb(14)MnSb(11), planar Sb(4) (4-) rectangles in the skutterudites, for example, LaFe(3)CoSb(12), and Sb(8) cubes interconnected via short Sb-Sb bonds to a three-dimensional network in Mo(3)Sb(5)Te(2). These interactions have a significant impact on the band gap size as well as on the effective mass around the Fermi level, for the bottom of the conduction band is in all cases predominated by antibonding Sb-Sb interactions, and-in some cases-the top of the valence band by bonding Sb-Sb interactions.
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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) | 0.001 | 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 it