This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • MC3D.tar.xz: SOAP vector representation of the 79,854 entries of the Materials Cloud 3-dimensional crystal structures "source" (MC3D-source) database, along with outcomes of the classification algorithms and calculated geometric descriptors used in the analysis of the paper.
  • MP.tar.xz: Structure files and SOAP vector representation of the 83,989 entries of the Materials Project crystal structures (MP) database, along with outcomes of the classification algorithms and calculated geometric descriptors used in the analysis of the paper.
  • MC3D_ids.yaml: Full list of database versions and IDs for each structure obtained from the three databases (MPDS, ICSD, COD) composing the MC3D-souce database. The MC3D-source database cannot be released due licensing constraints.
  • README.md: Complete description of the contents of the archive.