Crystal Structure and Physical Properties of the Lanthanum Chalcoantimonate TlLa<sub>2</sub>Sb<sub>3</sub>Se<sub>9</sub>
Bibliographic record
Abstract
Abstract The new lanthanum chalcoantimonate TlLa2Sb3Se9 has been synthesized and its crystal structure determined. TlLa2Sb3Se9 crystallizes in an ordered variant of the KLa2Sb3S9 type, space group P212121 with the lattice parameters a=4.2621(2) Å, b=15.155(5) Å, c=25.505(9) Å. The band gap of TlLa2Sb3Se9 was calculated to be 0.47 eV, and experimentally determined to be 0.68 eV. Its thermoelectric properties were optimized via doping with Ca2+; samples with the compositions TlLa2‐xCaxSb3Se9 (x=0.01, 0.03, 0.05) were synthesized. Despite ultralow thermal conductivity, the maximum thermoelectric figure‐of‐merit of the undoped sample was only zT=0.031 at 623 K, which was increased to 0.078 for the sample with the nominal composition of TlLa1.95Ca0.05Sb3Se9. These low values are a consequence of the uncompetitively low electrical conductivity.
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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) | 0.001 | 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 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".