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ISI Web of Knowledge

WebElements
X-ray properties of the elements
X-ray data booklet
Electron binding energies
Photoionization cross-sections
XPS database (NIST)
X-ray transition energies (NIST)
X-ray mass attenuation coefficients (NIST)

Bilbao crystallographic server

3D (VRML) Fermi surface database
VRML Structure Type gallery

Energy-consistent pseudopotentials of the Stuttgart/Cologne Group
Basis set exchange