P<sub>1−<i>x</i></sub>Ta<sub>8+<i>x</i></sub>N<sub>13</sub> (<i>x</i>=0.1–0.15): A Phosphorus Tantalum Nitride Featuring Mixed‐Valent Tantalum and P/Ta Disorder Visualized by Scanning Transmission Electron Microscopy
Bibliographic record
Abstract
Abstract We report on the synthesis, crystal, and electronic structure, as well as the magnetic, and electric properties of the phosphorus‐containing tantalum nitride P 1− x Ta 8+ x N 13 ( x =0.1–0.15). A high‐pressure high‐temperature reaction (8 GPa, 1400 °C) of Ta 3 N 5 and P 3 N 5 with NH 4 F as a mineralizing agent yields the compound in the form of black, rod‐shaped crystals. Single‐crystal X‐ray structure elucidation (space group C 2/ m (no. 12), a =16.202(3), b =2.9155(4), c =11.089(2) Å, β =126.698(7)°, Z =2) shows a network of face‐ and edge‐sharing Ta‐centered polyhedra that contains small vacant channels and PN 6 octahedra strands. Atomic resolution transmission electron microscopy reveals an unusual P/Ta disorder. Mixed‐valent tantalum atoms exhibit interatomic distances similar to those in metallic tantalum, however, the electrical resistivity is quite high in the order of 10 1 Ω cm. The density of states and the electron localization function indicate localized electrons in both covalent and ionic bonds between P/Ta and N atoms, combined with less localized electrons that do not contribute to interatomic bonds.
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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 | 0.000 | 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 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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 teacher head, 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".