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Record W4403096160 · doi:10.1021/acs.chemmater.4c02302

Li<sub>3</sub>Sb<sub>7</sub>Se<sub>12</sub>: A Pavonite Homologue with Ultralow Thermal Conductivity

2024· article· en· W4403096160 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 · 2024
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Manitoba
FundersBasic Energy Sciences
KeywordsThermal conductivityMaterials scienceAntimonyConductivityElectrical resistivity and conductivityCrystallographyChemistryPhysicsPhysical chemistryMetallurgyComposite material

Abstract

fetched live from OpenAlex

Lithium-containing semiconductors have applications in solid-state batteries, thermoelectrics, and neutron detectors. Li 3 Sb 7 Se 12 is a new ternary semiconductor isostructural to the mineral benjaminite (Ag 3 Sb 7 S 12 ) crystallizing in monoclinic space group C 2/ m . Benjaminite belongs to the pavonite mineral family with the general formula M n +1 (Bi/Sb) 2 Q n +5 ( n = 0–8), where n is the octahedral building block length consisting of face-sharing octahedra. Li 3 Sb 7 Se 12 belongs to n = 7, and it differs from benjaminite by exhibiting occupancy disorder between Li + and Sb 3+ atoms. It exhibits exceptionally low lattice thermal conductivities of 0.53–0.37 W m –1 K –1 in the temperature range 300–873 K and is a p -type semiconductor. Chemical bonding analysis using DFT calculations indicates that hierarchical bonding and the distorted coordination environment of antimony play a prominent role in its heat transport properties, leading to ultralow lattice thermal conductivity, while selenium dominates the electronic structure near the bandgap.

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)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0010.000
Open science0.0010.000
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 head0.015
GPT teacher head0.215
Teacher spread0.200 · 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