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Record W2345439730 · doi:10.1021/jacs.6b03107

Trigonal Planar [HgSe<sub>3</sub>]<sup>4–</sup> Unit: A New Kind of Basic Functional Group in IR Nonlinear Optical Materials with Large Susceptibility and Physicochemical Stability

2016· article· en· W2345439730 on OpenAlexafffund
Chao Li, Wenlong Yin, Pifu Gong, Xiaoshuang Li, Molin Zhou, Arthur Mar, Zheshuai Lin, Jiyong Yao, Yicheng Wu, Chuangtian Chen

Bibliographic record

VenueJournal of the American Chemical Society · 2016
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaNational Natural Science Foundation of China
KeywordsChemistryPlanarTrigonal crystal systemGroup (periodic table)Nonlinear opticalCrystallographyNonlinear opticsNonlinear systemUnit (ring theory)Crystal structureOrganic chemistryPhysicsQuantum mechanics

Abstract

fetched live from OpenAlex

A new mercury selenide BaHgSe2 was synthesized. This air-stable compound displays a large nonlinear optical (NLO) response and melts congruently. The structure contains chains of corner-sharing [HgSe3](4-) anions in the form of trigonal planar units, which may serve as a new kind of basic functional group in IR NLO materials to confer large NLO susceptibilities and physicochemical stability. Such trigonal planar units may inspire a path to finding new classes of IR NLO materials of practical utility that are totally different from traditional chalcopyrite materials.

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 score0.001
Threshold uncertainty score0.003

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 head0.013
GPT teacher head0.220
Teacher spread0.207 · 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

Citations193
Published2016
Admission routes2
Has abstractyes

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Same venueJournal of the American Chemical SocietySame topicCrystal Structures and PropertiesFrench-language works237,207