Published on 01 January 2024
Seventh CCDC Blind Test: Calculated Crystal Structures
View DatasetA. Daniel Boese;Alexander List;Nina Strasser;Johannes Hoja;Doris E. Braun
Description
A set of calculated crystal structures for target XXXII in the CCDC's seventh blind test of crystal structure prediction methods, corresponding to phase 2 submitted by group 3. These structures are freely available from the CCDC and include 3D coordinates, cell parameters and space group.
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Publication Details
Subfield
Electronic, Optical and Magnetic Materials
Field
Materials Science
Domain
Physical Sciences
Confidence Score
52%
Source
Scholar Data Model
Keywords
Calculated Crystal StructureCalculated 3D CoordinatesCrystal SystemSpace GroupCell Parameters