Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features

Zagorac, Dejan; Müller, Heimo; Ruehl, S.; Zagorac, Jelena; Rehme, Silke

doi:10.1107/s160057671900997x

Public

Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features

Published in Journal of Applied Crystallography • Sep 23, 2019

Authors:

Dejan Zagorac

Heimo Müller

S. Ruehl

Abstract

The Inorganic Crystal Structure Database (ICSD) is the world's largest database of fully evaluated and published crystal structure data, mostly obtained from experimental results. However, the purely experimental approach is no longer the only route to discover new compounds and structures. In the p...

Subject

Crystal structure

Scope (computer science)

Computer science

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