Thermoelectric properties of inverse perovskites <i>A</i>3<i>Tt</i>O (<i>A</i> = Mg, Ca; <i>Tt</i> = Si, Ge): Computational and experimental investigations
Why this work is in the frame
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Bibliographic record
Abstract
Oxygen-containing inverse perovskites represent one possible solution to reduce the cost and enhance the sustainability of thermoelectric materials. Although oxygen-containing compounds may be thought to reduce the electronic mobility and thus the thermoelectric performance, computational studies on A3TtO (A = Mg, Ca; Tt = Si, Ge) revealed that they exhibit high electrical conductivity originating from Dirac cones at valence and conduction bands. High Seebeck coefficients were predicted arising from multiple degenerate bands, leading to enhanced power factors, and low thermal conductivities were predicted using the minimum thermal conductivity model. These predictions were validated by experimental studies on Ca3SiO and Ca3GeO, which were synthesized through high-temperature methods. They adopt an orthorhombic structure (space group Imma). Transport measurements show high Seebeck coefficients and low thermal conductivities for these compounds, confirming their potential for high thermoelectric performance.
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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 it