Li<sub>3</sub>Sb<sub>7</sub>Se<sub>12</sub>: A Pavonite Homologue with Ultralow Thermal Conductivity
Bibliographic record
Abstract
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.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.001 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".