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Record W2901990653 · doi:10.1021/acs.chemmater.8b04261

Structure-Directing Lone Pairs: Synthesis and Structural Characterization of SnTiO<sub>3</sub>

2018· article· en· W2901990653 on OpenAlexafffund
Leo Diehl, Sebastian Bette, Florian Pielnhofer, Sophia B. Betzler, Igor Moudrakovski, Geoffrey A. Ozin, Robert E. Dinnebier, Bettina V. Lotsch

Bibliographic record

VenueChemistry of Materials · 2018
Typearticle
Languageen
FieldMaterials Science
TopicFerroelectric and Piezoelectric Materials
Canadian institutionsUniversity of Toronto
FundersMax-Planck-GesellschaftUniversity of Ottawa
KeywordsStackingCrystallographyvan der Waals forceMaterials scienceLone pairOctahedronCrystal twinningRietveld refinementLattice (music)Crystal structureChemical physicsCondensed matter physicsChemistryPhysicsMolecule

Abstract

fetched live from OpenAlex

SnTiO3 was successfully synthesized for the first time in bulk form by soft chemistry. STEM and Rietveld refinement show that SnTiO3 adopts a structure similar to the archetypical ilmenite-type structure, forming a honeycomb lattice of edge-sharing TiO6-octahedra, which are decorated with Sn2+. Given the formation of a van der Waals gap between the individual layers and hence close energetic minima of different stacking types, SnTiO3 forms multiple stacking orders and twinning domains that we describe by systematic DIFFaX-simulations. The structure is governed by the tin lone pairs, which influence the stacking of the layers as well as local distortions observed by EELS and NMR, potentially leading to a wide range of applications.

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 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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.002
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
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)0.0020.000

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 head0.008
GPT teacher head0.209
Teacher spread0.202 · 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 teacher head, not a consensus.

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

Citations36
Published2018
Admission routes2
Has abstractyes

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