Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials
Dataset of ShengBTE calculations for In2CuAgSe4 system considered in the article.
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| creator | Rosado-Miranda, Adolfo E. Posligua, Victor Fdez. Sanz, Javier Marquez, Antonio M. Nath, Pinku Plata, Jose J. |
| description | Dataset of ShengBTE calculations for In2CuAgSe4 system considered in the article. |
| doi_str_mv | 10.5281/zenodo.10687721 |
| format | Dataset |
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| identifier | DOI: 10.5281/zenodo.10687721 |
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| language | eng |
| recordid | cdi_datacite_primary_10_5281_zenodo_10687721 |
| source | DataCite |
| title | Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials |
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