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All topological bands of all nonmagnetic stoichiometric materials.

Maia G VergnioryBenjamin J WiederLuis ElcoroStuart S P ParkinClaudia FelserB Andrei BernevigNicolas Regnault
Published in: Science (New York, N.Y.) (2022)
Topological quantum chemistry and symmetry-based indicators have facilitated large-scale searches for materials with topological properties at the Fermi energy ( E F ). We report the implementation of a publicly accessible catalog of stable and fragile topology in all of the bands both at and away from E F 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 Bi 2 Mg 3 . We find that 52.65% of all materials are topological at E F , 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.
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