Nb<sub>9</sub>PdAs<sub>7</sub>: A Unique Arrangement in the M<i><sub>n</sub></i><sup><sub>2</sub></sup><sub>+3</sub><i><sub>n</sub></i><sub>+2</sub>X<i><sub>n</sub></i><sup><sub>2</sub></sup><sub>+</sub><i><sub>n</sub></i>Y Family of Hexagonal Structures
Bibliographic record
Abstract
The ternary transition-metal arsenide Nb(9)PdAs(7) has been prepared through reaction of the elements, and its structure has been determined by single-crystal X-ray diffraction methods. It adopts a new structure type (Pearson symbol hP51, hexagonal, space group P6, Z = 3), with unit cell parameters a = 16.6955(6) and c = 3.5582(1) A. The structure contains assemblies of As-centered trigonal prisms that extend as triangular columns through sharing of the triangular faces. Not only does Nb(9)PdAs(7) extend a family of hexagonal structures with general formula M(n2+3n+2)X(n2+n)Y to n = 4, the highest member known thus far, but it also displays the unique feature in which there are two distinct types of triangular columns, one having corner atoms (Pd) different from the other atoms (Nb). Structural relationships between members of the M(n2+3n+2)X(n2+n)Y family are presented. The chemical bonding in Nb(9)PdAs(7) was analyzed through an extended Hückel band structure calculation.
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How this classification was reachedexpand
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 | 0.022 | 0.010 |
| Meta-epidemiology (narrow) | 0.024 | 0.026 |
| Meta-epidemiology (broad) | 0.020 | 0.011 |
| Bibliometrics | 0.009 | 0.025 |
| Science and technology studies | 0.010 | 0.016 |
| Scholarly communication | 0.008 | 0.012 |
| Open science | 0.027 | 0.014 |
| Research integrity | 0.016 | 0.027 |
| Insufficient payload (model declined to judge) | 0.001 | 0.009 |
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; both teacher heads agree on what is shown here.
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".