Synthesis, structural study, and Na+ migration pathways simulation of the new phase Na3Al3(AsO4)4
Bibliographic record
Abstract
Single crystals of the novel arsenate, Na3Al3(AsO4)4 have been isolated and their structure has been determined by X-ray diffraction experiment. Na3Al3(AsO4)4 crystallizes in the monoclinic space group C2/c with a = 19.837(1) Å; b = 6.448(3) Å; c = 10.437(6) Å, β = 91.986 (3)° and Z = 2. The structural model was confirmed by both bond valence sum (BVS), charge distribution (CHARDI) validation tools and density functional theory (DFT) method. The empirical activation energy for sodium migration channels within the crystal structure was estimated by the bond valence site energy landscape (BVSE) map method. With an energy barrier of 0.409 eV, the crystal structure features 3D networks of pathways suitable for Na+ ion migration.
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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) | 0.002 | 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 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".