Rattling of Ag Atoms Found in the Low-Temperature Phase of Thermoelectric Argyrodite Ag<sub>8</sub>SnSe<sub>6</sub>
Bibliographic record
Abstract
A rattling of silver (Ag) atoms is identified in the low-temperature phase of Argyrodite compound Ag 8 SnSe 6 through a systematic multitemperature synchrotron radiation powder diffraction study. Both Bragg and diffuse scatterings from the sample can be well explained by the presence of the Ag rattling atoms. The Rietveld refinements of the low-temperature phase were significantly improved by introducing anisotropic thermal motions of Ag1 and Ag3 sites. The diffuse scattering observed in the low-temperature phase can be well explained by a combination of the first-order thermal diffuse and liquid-like scatterings, which arise due to the rattling of Ag1 and Ag3 sites. The rattling of Ag1 and Ag3 sites is restricted in the perpendicular direction of the Se triangles. This behavior is very similar to that of rattling atoms in the tetrahedrite and tennantite. The present findings are consistent with the low thermal conductivity observed in the low-temperature phase and the existence of low-energy excitation due to neutron scattering.
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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 | 0.002 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.002 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 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".