Studies of the local structures and spin Hamiltonian parameters for the two Rh<sup>2+</sup> centers in AgBr
Bibliographic record
Abstract
The local structures and the spin Hamiltonian parameters (the g-factors g|| and g⊥ and the superhyperfine parameters A||′ and A⊥′) are quantitatively studied for the two Rh2+ L and H centers (denoting the tetragonally elongated and compressed [RhBr6]4− clusters at low and high temperatures, respectively) in AgBr using the perturbation formulas of these parameters for a 4d7 ion in tetragonally elongated and compressed octahedra. From the studies, the elongated L center originates from the relative elongation of the parallel Rh2+–Br− bonds by about 0.081 Å along the C4 axis because of the Jahn–Teller effect. Nevertheless, the compressed center H is attributed to one next nearest neighbouring Ag+ vacancy VAg along the C4 axis as the charge compensator, which compels the intervening ligand Br− in the Rh2+ and the VAg to shift away from the latter by about 0.148 Å because of the electrostatic repulsion. All the calculated spin Hamiltonian parameters based on the above local structures are in good agreement with the experimental data for both centers.
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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 | 0.001 |
| 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".