The explicit examination of the magnetic states of electrides
Bibliographic record
Abstract
Electrides are a unique class of ionic solids in which the anions are stoichiometrically replaced by electrons localised within the crystal voids. In this work, we present the first density-functional calculations to successfully reproduce the known anti-ferromagnetic behaviour of the organic electrides. Interrogation of the spin densities confirms that the localised, interstitial electrons are indeed the source of magnetism in the electride crystals. Comparison of the relative energies of the ferromagnetic and anti-ferromagnetic states allows prediction of the spin-coupling constants between electrons in neighbouring crystal voids. All major discrepancies between the calculated and experimentally-determined coupling constants reflect obvious deviations from the assumption of a simple, one-dimensional chain of interacting spins. For the electrides where such a model Hamiltonian is valid, the experimental ordering of the coupling constants is reproduced to a remarkable degree of accuracy.
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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".