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.
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cell, chemical crystal structure, inorganic, material, metal, neutron and x-ray diffraction, organic, phase, space group