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1 papers
He Y., Cubuk E.D., Allendorf M.D. et al. · Journal of Physical Chemistry Letters · 2018
Reported here: KNd[Re4Te4(CN)12]
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| KNd[Re4Te4(CN)12]2018 · Metallic Metal-Organic Frameworks Predicted by the Combination of Machine Learning Methods and Ab Initio Calculations | K4 Nd4 Re16 Te16 C48 N48K, Nd and Re-Te cyanide cluster framework model · cyanide (CN) | unknown · Model SystemDFT-optimised base-centred orthorhombic ML-predicted candidate; not DFT-confirmed metallic | 4 · Results and discussion · Table 2 |