Experimental and Theoretical Study of Zircon and Scheelite Phases of DyVO<sub>4</sub>
Bibliographic record
Abstract
Polycrystalline zircon-type dysprosium orthovanadate, DyVO4, prepared from a single crystal grown by slow cooling from PbO/PbF2 ux, was studied by X-ray diraction.Rietveld renement provided the following unit cell size and oxygen atom coordinates: a = 7.14811(4) Å; c = 6.30825(4)Å, V = 322.323(3)Å3, y(O 2-) = 0.4300(4); z(O 2-) = 0.2082(4) which are of a particularly high accuracy and show consistency with earlier reported values.Density functional theory calculations within the generalized gradient approximation for the exchange-correlation energy were also performed, providing values of structure parameters which dier by less than 2% from the experimental ones.The agreement between theory and experiment demonstrates the value of these calculations for understanding the structure of compounds of RVO4 family.In addition, density functional theory calculations were performed for the scheelite-type DyVO4; also for this polymorph the discrepancy with the only known set of lattice parameters is less than 2%.Values of oxygen atom coordinates have not been reported yet for this polymorph; here, the calculated ones are quoted.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.001 |
| 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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 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 source (direct Gemma or distilled Codex), 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".