Exploring the Structure/Property Nexus in Perovskite and Pyrochlore Oxides
Bibliographic record
Abstract
Perovskites comprise a very large family of materials with many important applications in areas such as dielectrics, superconductivity and photovoltaics among very many others. From a structural chemical perspective the basic perovskite, formulated as ABO3, is the parent of a large variety of structure types obtained by substitutions on both the A and B sites, crystallographic ordering on these sites, intergrowth with other structure types and significant levels of vacancies on both the A and O sites. In fact about 80% of the stable chemical elements can be accommodated within the perovskite and perovskite derived structures providing many opportunities for chemical manipulations which drive changes in physical properties. Selected examples will be given involving intergrowth materials, the Ruddlesden-Popper phases (for which a strong connection to B.E. Warren exists), so called double perovskites with cation ordering on the B - site and materials with high vacancy levels on the O site. Pyrochlore oxides, A2B2O7, are a smaller family of materials but have been studied intensively over the past several years due to a singular feature of the structure which is that both the A and B site ions reside on a sublattice consisting of corner-sharing tetrahedra which provides the condition for geometric magnetic frustration leading to an ever expanding array of exotic magnetic ground states. A discussion of the first oxide of this type to be discovered, namely Y2Mo2O7, will be presented.
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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 | 0.000 |
| 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 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.000 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.002 | 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".