Evolution of valence electron density of compressed Na–Au alloys
Bibliographic record
Abstract
Maximum Entropy Method (MEM) analyses were performed on previously reported synchrotron x-ray powder diffraction patterns of Na-Au intermetallics from 0.8 to 60 GPa [1].The derived valence charge density distributions show gradual electron migration from electropositive Na to electronegative Au as the pressure is increased.However, the electronic interaction cannot be ascribed to a simple electron transfer process proposed for the analogous K-Ag alloy system [2].Na-Au "covalent" bonds and and electrides were identified in the low-pressure orthorhombic phase-I Na2Au The electron distribution of the higher pressure phase II Na3Au, in which Rietveld refinements failed to distinguish between a trigonal and hexagonal structure, is consistent with the hexagonal space group.Clear evidence of Au-Au and Na-Au bonds was observed in the high-pressure cubic phase-III Na3Au.Charge densities computed from density functional theory complement and support the MEM analysis.Projection of the plane wave wavefunctions into atom-centred orbitals followed by the construction of natural bind orbital and the solid state extension provided a conventional description based on the two-center two-electron and multi-center bonding scheme.
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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 | 0.000 |
| 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 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".