@article{doi:10.1021/ci00038a003,
author = {Bergerhoff, G. and Hundt, R. and Sievers, R. and Brown, I. D.},
title = {The inorganic crystal structure data base},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {23},
number = {2},
pages = {66-69},
year = {1983},
doi = {10.1021/ci00038a003},
URL = {https://doi.org/10.1021/ci00038a003},
}

@article{Zagorac:in5024,
author = "Zagorac, D. and M{\"{u}}ller, H. and Ruehl, S. and Zagorac, J. and Rehme, S.",
title = "{Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features}",
journal = "Journal of Applied Crystallography",
year = "2019",
volume = "52",
number = "5",
pages = "918--925",
month = "Oct",
doi = {10.1107/S160057671900997X},
url = {https://doi.org/10.1107/S160057671900997X},
abstract = {The Inorganic Crystal Structure Database (ICSD) is the world's largest database of fully evaluated and published crystal structure data, mostly obtained from experimental results. However, the purely experimental approach is no longer the only route to discover new compounds and structures. In the past few decades, numerous computational methods for simulating and predicting structures of inorganic solids have emerged, creating large numbers of theoretical crystal data. In order to take account of these new developments the scope of the ICSD was extended in 2017 to include theoretical structures which are published in peer-reviewed journals. Each theoretical structure has been carefully evaluated, and the resulting CIF has been extended and standardized. Furthermore, a first classification of theoretical data in the ICSD is presented, including additional categories used for comparison of experimental and theoretical information.},
keywords = {Inorganic Crystal Structure Database, ICSD, theoretical structures, standardization, classification},
}

@article{Allmann:sh0188,
author = "Allmann, Rudolf and Hinek, Roland",
title = "{The introduction of structure types into the Inorganic Crystal Structure Database ICSD}",
journal = "Acta Crystallographica Section A",
year = "2007",
volume = "63",
number = "5",
pages = "412--417",
month = "Sep",
doi = {10.1107/S0108767307038081},
url = {https://doi.org/10.1107/S0108767307038081},
abstract = {Both the approach used and the progress made in the assignment of structure types to the crystal structures contained in the ICSD database are reported. Extending earlier work, an hierarchical set of criteria for the separation of isopointal structures into isoconfigurational structure types is used. It is shown how these criteria, which include the space group (number), Wyckoff sequence and Pearson symbol, {\it c}/{\it a} ratio, {$\beta$} ranges, ANX formulae and, in certain cases, the necessary elements and forbidden elements, may be used to uniquely identify the representative structure types of the compounds contained in the ICSD database.},
keywords = {Inorganic Crystal Structure Database, ICSD, structure types},
}

@article{Belsky:an0615,
author = "Belsky, Alec and Hellenbrandt, Mariette and Karen, Vicky Lynn and Luksch, Peter",
title = "{New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design}",
journal = "Acta Crystallographica Section B",
year = "2002",
volume = "58",
number = "3 Part 1",
pages = "364--369",
month = "Jun",
doi = {10.1107/S0108768102006948},
url = {https://doi.org/10.1107/S0108768102006948},
abstract = {The materials community in both science and industry use crystallographic data models on a daily basis to visualize, explain and predict the behavior of chemicals and materials. Access to reliable information on the structure of crystalline materials helps researchers concentrate experimental work in directions that optimize the discovery process. The Inorganic Crystal Structure Database (ICSD) is a comprehensive collection of more than 60000 crystal structure entries for inorganic materials and is produced cooperatively by Fachinformationszentrum Karlsruhe (FIZ), Germany, and the US National Institute of Standards and Technology (NIST). The ICSD is disseminated in computerized formats with scientific software tools to exploit the content of the database. Features of a new Windows-based graphical user interface for the ICSD are outlined, together with directions for future development in support of materials research and design.},
keywords = {Inorganic Crystal Structure Database, Windows-based graphical user interface, materials design, ICSD, crystal structure data, visualization software},
}

@article{Karen_2008,
title={NIST 3. NIST Crystal Data, World Wide Web-Internet and Web Information Systems},
url={https://www.nist.gov/publications/nist-3-nist-crystal-data},
abstractNote={NIST Crystal Data contains chemical, physical, and crystallographic information useful to characterize more than 237,671 inorganic and organic crystalline materials.The data include the standard cell parameters, cell volume, space group number and symbol, calculated density, chemical formula, chemical name, and classification by chemical type.The database can be utilized as a practical analytical tool for compound identification because thelattice/formula combination characterizes a crystalline phase. The database is useful in conjunction with otherdata for materials design and properties prediction.The file includes reliable data across the entire range of solid state materials including inorganics, organics,minerals, intermetallics, metals, alloys, drugs, antibiotics, and pesticides. Comprehensive chemical,crystallographic, and identification search software is available with the database.},
note={Last Modified: 2008-10-16T10:10-04:00},
journal={NIST},
publisher={Vicky L. Karen},
author={Karen, Vicky L.},
year={2008},
month={Oct},
language={en},
}

@misc{P.Villars_K.Cenzual_2023,
address={Materials Park, Ohio, USA},
title={Pearson’s Crystal Data: Crystal Structure Database for Inorganic Compounds},
publisher={ASM International®},
author={P. Villars and K. Cenzual},
year={2023},
}