Dataset
TdS-PdV_Atari5200
Download Dataset XYZ file
| Name | TdS-PdV_Atari5200 |
|---|---|
| Extended ID | TdS-PdV_Atari5200_WisesaAndolinaSaidi__DS_tuta6s1w10vm_0 |
| Description | Approximately 45,000 configurations of metal oxides of Mg, Ag, Pt, Cu and Zn, with initial training structures taken from the Materials Project database. |
| Authors |
Pandu Wisesa Christopher M. Andolina Wissam A. Saidi |
| Elements |
Ag (9.58%) O (54.11%) Mg (20.01%) Pt (4.79%) Zn (4.06%) Cu (7.44%) |
| Number of Data Objects | 44,016 |
| Number of Configurations | 44,016 |
| Number of Atoms | 1,975,372 |
| Links |
https://doi.org/10.5281/zenodo.7278341 https://github.com/saidigroup/Metal-Oxide-Dataset/tree/v1.0 https://doi.org/10.1021/acs.jpclett.2c03445 |
| Configuration Sets by Name |
CuO — All Cu(x)O(y) configurations from TdS-PdV & Atari5200 MgO — All Mg(x)O(y) configurations from TdS-PdV & Atari5200 ZnO — All Zn(x)O(y) configurations from TdS-PdV & Atari5200 PtO — All Pt(x)O(y) configurations from TdS-PdV & Atari5200 AgO — All Ag(x)O(y) configurations from TdS-PdV & Atari5200 |
| Configuration Sets by ID |
CS_wayopgmxz7qc_0 CS_jd8s3506j04j_0 CS_0ljbkvznsn6l_0 CS_m16grefuy142_0 CS_ly58ej5wb4js_0 |
| Data Objects | Too many to display |
| ColabFit ID | DS_tuta6s1w10vm_0 |
| Files | colabfitspec.json |
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