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ChemInform Abstract: Identification of Novel Cu,Ag, and Au Ternary Oxides from Global Structural Prediction. |
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| Authors: | Tiago F T Cerqueira Sun Lin Maximilian Amsler Stefan Goedecker Silvana Botti Miguel A L Marques |
| Abstract: | Ab initio global structural prediction and specifically, the minima hopping method combined with high‐throughput calculations are used to explore the periodic table in search of novel oxide phases. |
| Keywords: | theory of the condensed state electric properties superconductors semiconductors copper Cu silver Ag gold Au oxygen O |