Table of Isotopes References and nuclear structure and decay data on radioactive isotopes.Analytical Scattering Factor Functions for Free Atoms and Ions.RHF scattering factors for atoms, core and valence shells, excellent analytical approximations to these scattering factors and analytical wave functions which represent the results on which the scattering factors are based.Tables of X-ray mass attenuation coefficients and mass energy-absorption coefficients.DABAX A Dynamic Database for X-ray applications, now included as part of the XOP software package.MSIT Workplace Materials constitution, phase diagrams and thermodynamic data in materials chemistry.The Materials Project Open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials.Materials Platform for Data Science The online platform MPDS (Materials Platform for Data Science) provides all the PAULING FILE data online via two access interfaces: browser-based graphical (GUI) and application programming (API).Material Properties Open Database Web-based, open access repository of quantitative information about the physical properties of crystalline materials.SCOP Structural classification of proteins database.These are links to other databases in other subject areas that are nevertheless of interest to crystallographers. Surface Crystallographic Database (SSD) Over 1250 atomic scale structures of surfaces.SDPD-D Structure Determination from Powder Diffraction - Database of bibliography and methods.PowBase Searchable free-access database of constant-wavelength powder diffraction patterns (about 200 entries).Mineralogy Database Crystallography, X-Ray powder diffraction, chemical composition, physical and optical properties, Dana's New classification, Strunz classification, and alphabetical listings of over 4200 mineral species.American Mineralogist Crystal Structure Database.MinCryst Mineral phases - over 5000 entries for around 2500 unique mineral names.Mineralogy and naturally occuring crystals MOF nets An overview / correlation matrix of MOFs and their respective nets.Zeolites Database of Zeolite Structures and simulated powder patterns.AFLOW - standard library of crystallographic prototypes, providing a complete description of each structure, including formulas for primitive vectors, basis vectors, and AFLOW commands to generate standardized cells. B-IncStrDB Incommensurate structures Database.Secondary crystallographic databasesThese are academic or small-scale databases which are not maintained with the same level of longevity or security that is expected of the primary Databases. PDF: Powder Diffraction File of the International Centre for Diffraction Data The Pauling File: Inorganic Materials Database containing Phase Diagram, Crystal Structure and Physical Property entries NAKB: Nucleic Acids Knowledge Base (successor to the Nucleic Acid Database NDB) ICSD: Inorganic Crystal Structure Database They are generally maintained by large organisations and are valuable resources for the benefit of science as a whole.īCS: Bilbao Crystallographic Server of crystallographic symmetry informationīMCD: Biological Macromolecule Crystallization DatabaseĬrystallography Open Database: Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymersĬSD: Cambridge Structural Database of organic and metal-organic structures Acta Crystallographica Sections B and D joint special issue on crystallographic databases (2002) Databases Primary crystallographic databasesThese are the major public databases of crystal structure and related data.
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