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Useful Information

Database

Crystallography

Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers.

The Materials Project

Compute the properties of all inorganic materials and provide the data and associated analysis algorithms for researchers free of charge.

Bilbao Crystallographic

Open access database and programs for analyzing, calculating and visualizing problems of structural and mathematical crystallography, solid state physics and structural chemistry.

Catalysis Hub

A web-platform for sharing data and software for computational catalysis research!

XPS Database

The International XPS Database of XPS Reference Spectra, Peak-fits & Six (6) BE Tables.

NIST XPS

Database that gives easy access to the energies of many photoelectron and Auger-electron spectral lines.

Shannon Radii

Database of Ionic Radii, hosted by the Atomistic Simulation Group in the Materials Department of Imperial College

NREL Cell Efficiency

Record research cell efficiencies for five major technologies: crystalline Si, single-junction GaAs, multijunction, thin films, and emerging PV.