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A complete catalogue of high-quality topological materials

Open access
Vergniory, M. G., Elcoro, L., Felser, Claudia, Regnault, Nicolas, Bernevig, B. Andrei, Wang, Zhijun·2019·Nature

Abstract

Using a recently developed formalism called topological quantum chemistry, we perform a high-throughput search of ‘high-quality’ materials (for which the atomic positions and structure have been measured very accurately) in the Inorganic Crystal Structure Database in order to identify new topological phases. We develop codes to compute all characters of all symmetries of 26,938 stoichiometric materials, and find 3,307 topological insulators, 4,078 topological semimetals and no fragile phases. For these 7,385 materials we provide the electronic band structure, including some electronic properties (bandgap and number of electrons), symmetry indicators, and other topological information. Our results show that more than 27 per cent of all materials in nature are topological. We provide an open-source code that checks the topology of any material and allows other researchers to reproduce our results. Topological quantum chemistry and newly developed codes are used to analyse and compute the topological properties of materials in a large crystal database and to identify new topological phases, finding that more than 27 per cent of all materials in nature are topological.

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Metadata

Authors
Vergniory, M. G., Elcoro, L., Felser, C., Regnault, N., Bernevig, B. A., & Wang, Z.
Venue
Nature
Published
2019-02
Volume
566
Issue
7745
Pages
480-485
ISSN
  • 0028-0836 (ISSN-L)
  • 1476-4687
OpenAlex
W2916332658
Cited by
1,089
References
8
FWCI
66.89
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: A complete catalogue of high-quality topological materials. https://app.cochat.ai/papers/10.1038/s41586-019-0954-4
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Vergniory, M. G., Elcoro, L., Felser, C., Regnault, N., Bernevig, B. A., & Wang, Z. (2019). A complete catalogue of high-quality topological materials. Nature. https://doi.org/10.1038/s41586-019-0954-4

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