Li<sub>3</sub>Sb<sub>7</sub>Se<sub>12</sub>: A Pavonite Homologue with Ultralow Thermal Conductivity
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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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Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it