New multifunctional tungsten nitride with energetic N <sub>6</sub> and extreme hardness predicted from first principles
Why this work is in the frame
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Bibliographic record
Abstract
We report a new member to the family of tungsten nitrides, WN 6 , predicted from the structure search. Ground-state convex hull calculation reveals that crystalline WN 6 is thermodynamically stable at pressures above 16 GPa, but remains dynamically stable at ambient conditions. The predicted high-pressure WN 6 structure contains chaired cyclo-N 6 6 − rings isoelectronic to cyclo-hexasulfur (S 6 ), which is unprecedented in nitrogen. In the cyclo-N 6 6 − unit all nitrogen atoms are singly bonded and therefore contain a high energy density. By means of efficiently packing the covalent-bonded species, WN 6 is estimated to have extremely high Vickers hardness greater than 40 GPa at ambient conditions, placing it as one of the hardest materials. The present results reveal that WN 6 may be used as a superhard material but simultaneously maintaining other desirable properties, which represents an interesting example of multifunctional materials.
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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) | 0.000 | 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) | 0.000 | 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 it