Crystal Structure, Electronic Structure, and Physical Properties of Two New Antimonide−Tellurides: ZrSbTe and HfSbTe
Bibliographic record
Abstract
The isostructural title compounds were prepared from the elements in the stoichiometric ratio at 700 °C under exclusion of air. ZrSbTe and HfSbTe crystallize in the orthorhombic space group Immm, NbPS type, Z = 4, with a = 3.91171(6) Å, b = 5.80593(8) Å, c = 13.4630(3) Å, V = 305.760(6) Å 3 for ZrSbTe, and a = 3.86757(8) Å, b = 5.75115(9) Å, c = 13.4422(3) Å, V = 298.995(6) Å 3 for HfSbTe. The transition metal atoms are surrounded by four Sb and four Te atoms in the form of a bicapped trigonal prism. Two such prisms are joined via the third rectangular face, yielding a metal−metal bond across this face. The structures bestow with their unusual rectangular planar Sb layers exhibiting nonclassical Sb−Sb bonding. The distortion within the layers, reflected in the formation of alternating Sb−Sb distances along the b -axis, occurs with the formation of a band gap within the Sb bands. However, both compounds are metallic conductors with a small Seebeck coefficient, a consequence of a partial overlap of metal and Te states caused by the metal−metal bond.
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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) | 0.001 | 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) | 0.001 | 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".