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Record W3122707189 · doi:10.1002/zaac.202000386

Crystal Structure and Physical Properties of the Lanthanum Chalcoantimonate TlLa<sub>2</sub>Sb<sub>3</sub>Se<sub>9</sub>

2021· article· en· W3122707189 on OpenAlexafffund
Luke T. Menezes, Zoltan Wolfgang Richter-Bisson, Abdeljalil Assoud, Bryan A. Kuropatwa, Holger Kleinke

Bibliographic record

VenueZeitschrift für anorganische und allgemeine Chemie · 2021
Typearticle
Languageen
FieldMaterials Science
TopicSolid-state spectroscopy and crystallography
Canadian institutionsUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsLanthanumThermoelectric effectCrystal structureDopingMaterials scienceBand gapAnalytical Chemistry (journal)Figure of meritElectrical resistivity and conductivityCrystallographyMineralogyChemistryInorganic chemistryPhysicsOptoelectronics

Abstract

fetched live from OpenAlex

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.

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 machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.003
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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.

Opus teacher head0.009
GPT teacher head0.231
Teacher spread0.222 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations2
Published2021
Admission routes2
Has abstractyes

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