Good news! Let the discovery of new materials and properties begin!
About 100,000 known materials could not be processed for lack of sufficient records etc.
"... In a paper published today in Science, the team, led by Nicolas Regnault of Princeton University and the École Normale Supérieure Paris, reports harnessing the power of multiple supercomputers to map the electronic structure of more than 96,000 natural and synthetic crystalline materials. They applied sophisticated filters to determine whether and what kind of topological traits exist in each structure.
Overall, they found that 90 percent of all known crystalline structures contain at least one topological property, and more than 50 percent of all naturally occurring materials exhibit some sort of topological behavior. ...
Overall, they found that 90 percent of all known crystalline structures contain at least one topological property, and more than 50 percent of all naturally occurring materials exhibit some sort of topological behavior. ...
The ICSD is currently the largest materials database in the world, containing over 193,000 crystals whose structures have been mapped and characterized.
The team downloaded the entire ICSD, and after performing some data cleaning to weed out structures with corrupted files or incomplete data, the researchers were left with just over 96,000 processable structures. ... "From the abstract:
"Topological quantum chemistry and symmetry-based indicators have facilitated large-scale searches for materials with topological properties at the Fermi energy (EF). We report the implementation of a publicly accessible catalog of stable and fragile topology in all of the bands both at and away from EF in the 96,196 processable entries in the Inorganic Crystal Structure Database. Our calculations, which represent the completion of the symmetry-indicated band topology of known nonmagnetic materials, have enabled the discovery of repeat-topological and supertopological materials, including rhombohedral bismuth and Bi2Mg3. We find that 52.65% of all materials are topological at EF, roughly two-thirds of bands across all materials exhibit symmetry-indicated stable topology, and 87.99% of all materials contain at least one stable or fragile topological band."
All topological bands of all nonmagnetic stoichiometric materials (no public access)
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