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Topos Topological Database 


TTD (TOPOS Topological Database) collection contains the information on topological types of simple periodic nets and finite graphs. The TTD collection is used for automatic determination and classification of topologies of crystal structures and structural units with the ADS program.

Total entries: 181,729

TTD (TOPOS Topological Database) collection is a set of .ttd files in a special binary format containing the information on topological types of simple nets. The TTD collection is used for automatic determining crystal structure topology with the ADS program. See the Topological classification of nets with ToposPro manual for more details.

Database

Number of records

Update

Description

1D_2D.ttd

6576

02.02.2017

Data on topologies of one- and two-periodic sphere packings (see Koch, E. & Fischer, W. Z. Krist. 1978, 148, 107-152) and of RCSR 2D nets. Crystallographic data for the nets are collected in the Database on two-periodic nets

binodal.ttd

38309

31.10.2014

Data on topologies of novel binodal nets generated from RCSR nets. Crystallographic data for the nets are collected in the Database on binodal nets

clusters.ttd

18979

02.02.2017

Data on finite clusters and polynuclear complexes

entangle.ttd

208

14.11.2016

Data on topologies of entanglement (HRN&ERN).

epinet.ttd

14370

01.11.2016

Data on all new topological types of the periodic nets generated within the Euclidean Patterns in Non-Euclidean Tilings (EPINET) project

inorganic.ttd

5488

12.01.2017

Data on binary and other inorganic framework compounds; for TOPOS database see Database on binary compounds

intermetallics.ttd

2664

01.11.2016

Data on topologies of intermetallic compounds. See also Topological classification of nets with TOPOS4.0 Professional topologies

MOF.ttd

8591

02.02.2017

Data on topologies of metal-organic frameworks. See also Topological classification of nets with TOPOS4.0 Professional topologies

personal.ttd

317

12.01.2017

Data on topologies discovered by researchers over the world. For more detail see their personal codes and contact information. About the policy in cataloging new network topologies see "What to do with new topologies?"

polytypes.ttd

73305

22.11.2016

Data on topologies of polytypic close packings, SiC, NiAs, and other layered polymorphs up to 12-layered

TOPOS&RCSR.ttd

2774

02.11.2016

Data on idealized nets from Reticular Chemistry Structure Resource (RCSR), on framework zeolites, on sphere packings (see, e.g. Sowa, H. & Koch, E. Acta Cryst. 2005, A61, 331-342), and on some two-dimensional nets

uninodal.ttd

10148

05.01.2017

Data on topologies of novel uninodal nets generated from RCSR nets and sphere packings. Crystallographic data for the nets are collected in the Database on uninodal nets


Sources of the TTD Collection

RCSR (Reticular Chemistry Structure Resource), the original data are available for free at http://rcsr.anu.edu.au/.

EPINET (Euclidean Patterns in Non-Euclidean Tilings), the original data are available for free at http://epinet.anu.edu.au/.

Data on the sphere packings derived by Fischer, Koch & Sowa; the data were published in a number of papers (see, e.g. Sowa, H. & Koch, E. (2005). Acta Cryst. A61, 331-342).

Crystallographic data from CSD (Cambridge Structural Database), ICSD (Inorganic Crystal Structure Database) and Pearson's Crystal Data.

Atlas of Zeolite Framework Types, the original data are available for free at http://www.iza-structure.org/databases/.

Data on supernet-subnet relations (see Blatov, V. A. (2007). Acta Cryst. A63, 329-343; Blatov, V. A., Proserpio D. M. (2009). Acta Cryst. A65, 202-212).

Original publications of the authors who participate in the TOPOS "make your TTD contribution" program.

List of papers related to TTD Collection

Blatov V.A. Topological relations between three-dimensional periodic nets. I. Uninodal nets. (2007) Acta Cryst.,A63,329-343

Blatov V.A., Proserpio D.M. Topological relations between three-periodic nets. II. Binodal nets. (2009) Acta Cryst.,A65, 202-212


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