Consecutive Peierls distortions and high-pressure phase transitions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>YH</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>
Bibliographic record
Abstract
High-pressure phase transformations in ${\text{YH}}_{3}$ were investigated using the evolutionary algorithm for structural searches. A series of phase transformations are predicted with three lowest enthalpy phases identified. Two consecutive Peierls distortions within the hcp and fcc cells result into two low-pressure structures, the previously identified $P\overline{3}c1$ structure and a predicted $C2/m$ structure. The $P\overline{3}c1$ structure transforms to a $C2/m$ structure at 12 GPa and stabilizes to a fcc structure at 38 GPa. The predicted properties of the $C2/m$ structure agree well with experimental observation. At 200 GPa, the fcc structure transforms to a hcp structure. At 214 GPa, a transformation analogous to a Burgers deformation becomes more favored in the hcp form and this results in a stable $Cmcm$ structure.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.002 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.218 | 0.002 |
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".