Functional materials are at the center of most technologies of our everyday life: cell phones, solar cells, batteries, thermoelectric devices, digital storage, catalysis, and many other applications need at least one material fulfilling a task through its intrinsic physical properties. Finding a material well-suited for a given application is far from trivial. Indeed, even though close to 300 000 crystal structures have been reported today, less than 1 percent of those materials have been characterized for any measurable property. The mapping between crystal structures and physical properties is very far from completely known. Such mapping has to be constructed by characterizing known (or even unknown) materials. The traditional approach is to try and synthetize materials in lab conditions and measure their properties. When looking for a new material for a given application, the next step is to assess whether it is worth pursuing with this material or if another one should...
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