Pearson's file
Contains crystal structures of a large variety of inorganic materials and compounds. Aims to create and maintain the world's largest critically evaluated "Non-organic database".
Edited by Pierre Villars and Karin Cenzual, published by ASM International
The current release contains more than 180,000 structural data sets (including atom coordinates and displacement parameters, when determined) for more than 100,000 different phases, roughly 14,000 experimental powder diffraction patterns and about 167,000 calculated patterns. It achieves an ICSD coverage of more than 95%.
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- Computational band-structure engineering of III-V semiconductor alloys
- The structure of amorphous sulfur
- Reconstruction of a Silicon Carbide Surface
- Atomic Structure of Hydrodesulfurization (HDS) Catalysts
- Structure around Oxygen Vacancy in α-Quartz
- Structure and Heat of formation of Zirconia
- Structure and Bond Lengths in Titanium Dioxide (TiO₂)