A Theoretical Study of Nitrogen-Rich Phosphorus Nitrides P(N<i><sub>n</sub></i>)<i><sub>m</sub></i>
Bibliographic record
Abstract
Ab initio calculations predict that structures P(Nn)m (n = 3, 4; m = 1-4; with linear N3, tetrahedral N4, and square N4) correspond to local energy minima characterized by having real frequencies for all eigenvectors of the Hessian matrix. The central P atom often prefers having an odd number of bonds, although we also found some stable structures where P is evenly bonded. The special role of the phosphorus atom in the geometrical arrangements of the P(Nn)m systems was investigated. The low barriers of P(N4)m in the gas-phase decomposition reactions mean that these nitrogen-rich systems require external stabilization if they are to be used as high-energy density materials or starting materials for further syntheses.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 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".