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Record W4411584894 · doi:10.1021/acs.chemmater.5c00870

Stabilization of the Polar 0D Cs<sub>4</sub>Nb<sub>2–</sub><i><sub><i>x</i></sub></i>Ta<i><sub><i>x</i></sub></i>S<sub>11</sub> with Phase-Matched Second-Harmonic Generation and High Laser-Induced Damage Threshold

2025· article· en· W4411584894 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueChemistry of Materials · 2025
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Manitoba
FundersAir Force Office of Scientific ResearchDivision of Electrical, Communications and Cyber SystemsDivision of Materials ResearchNational Research Foundation of Korea
KeywordsX-ray crystallographyCrystallographyMaterials sciencePhysicsChemistryDiffractionOptics

Abstract

fetched live from OpenAlex

The polysulfide compounds A 4 M 2 S 11 (A = K, Rb, Cs; M = Nb, Ta) are a class of 0D noncentrosymmetric compounds made up of molecular anionic clusters and crystallize in the polar space group Pca 2 1 . The clusters in these materials feature pentagonal bipyramidal dimeric units with the descriptive formula [M V 2 (S 2 ) 4 S 3 ] 4– . Differential thermal analysis and variable-temperature PXRD (VT-PXRD) show that the Ta-based materials melt incongruently, transforming to ATaS 3, while the Nb-based materials melt congruently. Additionally, the Nb-based materials have been shown to partially incorporate oxide ions in the presence of Nb x O y impurities to form A 4 Nb 2 S 10.7 O 0.3, which is made of molecular units with the formula [Nb 2 (S 2 ) 4 S 2.7 O 0.3 ] 4–, while the Ta-based materials do not form an oxychalcogenide. Upon alloying the two metals in a 1.75:0.25 Nb to Ta ratio, Cs 4 Nb 1.75 Ta 0.25 S 11, the compound now melts congruently and is resistant to partial oxygen substitution. Second-harmonic generation was studied on Cs 4 Nb 2 S 11, Cs 4 Ta 2 S 11, and Cs 4 Nb 1.75 Ta 0.25 S 11, showing exceptional laser-induced damage threshold (LIDT) at 1064 nm for all materials with the LIDT of Cs 4 Nb 1.75 Ta 0.25 S 11 being 0.475 GW/cm 2, 3 times that of the reported industry standard AgGaSe 2 . Additionally, phase matchability was observed at the mid-infrared wavelength of 3000 nm for Cs 4 Nb 2 S 11 and Cs 4 Nb 1.75 Ta 0.25 S 11 .

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.

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.002
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesMeta-epidemiology (narrow)
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 score0.004
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.000
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0020.000
Bibliometrics0.0000.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0000.000

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 head0.012
GPT teacher head0.216
Teacher spread0.204 · 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