SLD Database

1.0 beta9
This page provides the calculated SLD values from items selected from the database or entered manually. Using the given chemical formula and one type of density information the tabulated x-ray and neutron atomic scattering data are used to calculate the optical parameters.
You can select a specific x-ray energy to get customized calculated values. For hydrogen containing compounds there is a similar functionality to choose deuteration amount. Isotopes are specified with N in square brackets (B[10]).

Physical constants are taken from CODATA Internationally recommended 2018 values. Neutron scattering lengths use the values from the ILL Neutron Data Booklet provided by the python periodictable package. X-ray energy dependant scattering is base on the NIST Standard Reference Database 66.

Fieldvalue for calculation
Formula
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Chemical formula of a compound can be provided in various ways. It will typically be a sequence of chemical elements followed each by a number.
Isotopes are written with the mass number N in square brackets. D for deuterium is also accepted for H[2].
Repreating groups can be provided by a sub-formula in round brackets followed by a number of repetitions.
For organic molecules that exchange hydrogen atoms with their environment, such exchangable hydrogens are written separately as Hx element.
Examples:
Fe2O3 / H[2]2O / H2(C2H4)4 / B[10]4C


You can look up the reference elemental data in the periodic table.

Formulas used for the calculation:
Open Reflectometry Standards Organization scattering length density database. Written by Artur Glavic from Paul Scherrer Institut (PSI).