Crystal Structures and Electronic Properties of Xe–Cl Compounds at High Pressure
Bibliographic record
Abstract
Crystal structure prediction techniques coupled with enthalpies obtained at 0 K from density functional theory calculations suggest that pressure can be used to stabilize the chlorides of xenon. In particular, XeCl and XeCl 2 were calculated to become metastable by 10 GPa and thermodynamically stable with respect to the elemental phases by 60 GPa. Whereas at low pressures Cl 2 dimers were found in the stable phases, zigzag Cl chains were present in Cmcm XeCl at 60 GPa and atomistic chlorine comprised P 6 3 / mmc XeCl and Fd 3̅ m XeCl 2 at 100 GPa. A XeCl 4 phase that was metastable at 100 GPa contained monomers, dimers, and trimers of chlorine. XeCl, XeCl 2, and XeCl 4 were metallic at 100 GPa, and at this pressure they were predicted to be superconducting below 9.0, 4.3, and 0.3 K, respectively. Spectroscopic properties of the predicted phases are presented to aid in their eventual characterization, should they ever be synthesized.
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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) | 0.000 | 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 | 0.001 |
| 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".