New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design.

By A. Belsky, M. Hellenbrandt, V. Karen, P. Luksch. Acta Crystallographica Section B Structural Science, 2002

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Crystal Diffusion Variational Autoencoder for Periodic Material Generation (2021, methodology): “There are only ∼ 200k experimentally known inorganic materials, collected by the ICSD (Belsky et al., 2002), in contrast to close to a billion molecules in ZINC (Irwin & Shoichet, 2005).”
The HighScore suite (2014, background): “When possible, several commercial reference databases (Bergerhoff and Brown, 1987; Belsky et al., 2002; Villars et al., 2002, 2004; Downs and Hall-Wallace, 2003; Gražulis et al., 2009, 2012; ICDD) plus own user databases can be combined for one search-match task.”
The thermodynamic scale of inorganic crystalline metastability (2016, methodology): “We manually surveyed the frequency and energy distribution of these entries, and found that they compose approximately 20% of the ICSD and represent the highest-energy calculated phases in the database (section S2.”