Synthesis, Structure, and Thermoelectric Properties of Barium Copper Polychalcogenides with Chalcogen‐Centered Cu Clusters and Te<sub>2</sub><sup>2–</sup> Dumbbells
Bibliographic record
Abstract
Abstract BaCu 6– x STe 6 and BaCu 6– x Se 1– y Te 6+ y were synthesized from the elements at 663 K. These chalcogenides adopt a new structure type, cubic space group Pm $\bar {3}$ , with a = 6.9680(2) Å in the case of BaCu 5.93 SeTe 6 . Therein, the Cu atoms form cubic clusters, centered by Se atoms, where statistically 2.07 corners are unoccupied. All Te atoms are part of Te 2 2– dumbbells, leading to a charge‐balanced formula when x = 0: Ba 2+ (Cu + ) 6 Se 2– (Te 2 2– ) 3 . While Te atoms can be incorporated on the Se site, no evidence was found for the ability of Se atoms to replace Te in the Te 2 2– pairs. Band structure calculations on different BaCu 6 SeTe 6 models revealed a very small band gap at the Fermi level; all these chalcogenides with x > 0 should thus be p ‐doped semiconductors, which we experimentally confirmed for BaCu 5.7 Se 0.6 Te 6.4 .
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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".