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Chemical and Crystal Structure

The Chemical and Crystal Structure category describes databases that are valuable tools for today's chemists, physicists, and materials scientists. These databases identify compounds or look for insights into material structures.

The codes in the list below have the following meanings:

PC PC product, most available for purchase, some are free
Online Free online system
DG Inclusion in the NIST Data Gateway - a portal providing access to many NIST scientific and technical databases. It is searchable by keyword, property, or substance name.
* Product contains data that have undergone rigorous critical evaluation by experienced researchers who recommend best values.
Online Subscription Product is a yearly subscription web product.


SRD 169 NIST Chemistry WebBook, Online, DG, *
SRD 105 Elemental Data Index, Online, DG, *
Polycyclic Aromatic Hydrocarbon Structure Index, Online, DG, *
SRD 84 FIZ/NIST Inorganic Crystal Structure Database (ICSD), PC, DG, *
SRD 31 Phase Equilibria Diagrams Database, PC, DG, *