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OPTIMADE, an API for exchanging materials data.
Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z.
Sci Data. 2021.
PMID: 34385453
Free PMC article.
The Limited Predictive Power of the Pauling Rules.
George J, Waroquiers D, Di Stefano D, Petretto G, Rignanese GM, Hautier G.
George J, et al. Among authors: waroquiers d.
Angew Chem Int Ed Engl. 2020 May 4;59(19):7569-7575. doi: 10.1002/anie.202000829. Epub 2020 Mar 20.
Angew Chem Int Ed Engl. 2020.
PMID: 32065708
Free PMC article.
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ChemEnv: a fast and robust coordination environment identification tool.
Waroquiers D, George J, Horton M, Schenk S, Persson KA, Rignanese GM, Gonze X, Hautier G.
Waroquiers D, et al.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2020 Aug 1;76(Pt 4):683-695. doi: 10.1107/S2052520620007994. Epub 2020 Jul 21.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2020.
PMID: 32831287
Free PMC article.
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Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states.
Bilc DI, Hautier G, Waroquiers D, Rignanese GM, Ghosez P.
Bilc DI, et al. Among authors: waroquiers d.
Phys Rev Lett. 2015 Apr 3;114(13):136601. doi: 10.1103/PhysRevLett.114.136601. Epub 2015 Mar 31.
Phys Rev Lett. 2015.
PMID: 25884131
Free article.
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