Data

Periodic net records from the EPINET database: sqc1 to sqc14645

The Australian National University
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ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.25911/hq20-mj54&rft.title=Periodic net records from the EPINET database: sqc1 to sqc14645&rft.identifier=10.25911/hq20-mj54&rft.publisher=The Australian National University&rft.description=The EPINET project (Euclidean Patterns in Non-Euclidean Tilings) catalogues crystalline frameworks (3-periodic nets) generated from tilings of triply-periodic minimal surfaces. These nets have a broad distribution of structural motifs that are of potential interest to chemists and materials scientists working at arbitrary length scales. The catalogue has been available as a searchable online database at https://epinet.anu.edu.au/ since 2006 and was most recently updated in 2022. This data collection provides two compressed directories for easy download of the periodic nets in EPINET. The file snet-cgd-files.zip is a compressed directory containing the files sqcN.cgd for N = 1 to 14645. Each file specifies the essential topological and geometric structure of a single 3-periodic net in three plain text records formatted for input to the systre software package (see http://www.gavrog.org/Systre-Help.html). The first record gives the topology of the periodic graph: each row represents an edge by specifying two vertex labels and a three-component integer vector that is the translational offset of the second vertex with respect to the first. The second two records are crystal structures. These specify a crystallographic space group and geometry for the net, one record for a maximal-volume unit cell and the other for a net geometry that attempts to enforce equal edge lengths. The second file snet-analysis-raw.zip contains the raw data used to build the s-net database table in EPINET. This data is the output of running the jython script analyzeNetsForEpinet.py on the surface-tiling periodic graphs. The files in the directory output have records labelled by surface tiling names and each record has the information we used to construct the s-net pages. Also included is the file epinet3_tiling_sqc_table.txt: a look-up table that maps each surface tiling name to its s-net name. Compressed file downloads for the periodic net data in EPINET&rft.creator=Anonymous&rft.date=2025&rft.relation=10.1107/S0108767308040592&rft.relation=10.1016/j.solidstatesciences.2006.04.001&rft_rights=This data is made available under the Creative Commons License CC BY-NC-SA. Details of the license can be found at http://creativecommons.org.au/licenses. &rft_rights= http://creativecommons.org/licenses/by-nc-sa/4.0/&rft_subject=Theory and design of materials&rft_subject=Macromolecular and materials chemistry&rft_subject=CHEMICAL SCIENCES&rft_subject=Statistical mechanics, physical combinatorics and mathematical aspects of condensed matter&rft_subject=Mathematical physics&rft_subject=MATHEMATICAL SCIENCES&rft_subject=Combinatorics and discrete mathematics (excl. physical combinatorics)&rft_subject=Pure mathematics&rft_subject=Condensed matter modelling and density functional theory&rft_subject=Condensed matter physics&rft_subject=PHYSICAL SCIENCES&rft_subject=reticular chemistry&rft_subject=periodic nets&rft_subject=hyperbolic tilings&rft_subject=triply periodic minimal surfaces&rft_subject=crystallographic frameworks&rft.type=dataset&rft.language=English Access the data
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This data is made available under the Creative Commons License CC BY-NC-SA. Details of the license can be found at http://creativecommons.org.au/licenses.

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Full description

The EPINET project (Euclidean Patterns in Non-Euclidean Tilings) catalogues crystalline frameworks (3-periodic nets) generated from tilings of triply-periodic minimal surfaces. These nets have a broad distribution of structural motifs that are of potential interest to chemists and materials scientists working at arbitrary length scales. The catalogue has been available as a searchable online database at https://epinet.anu.edu.au/ since 2006 and was most recently updated in 2022. This data collection provides two compressed directories for easy download of the periodic nets in EPINET. The file "snet-cgd-files.zip" is a compressed directory containing the files "sqcN.cgd" for N = 1 to 14645. Each file specifies the essential topological and geometric structure of a single 3-periodic net in three plain text records formatted for input to the systre software package (see http://www.gavrog.org/Systre-Help.html). The first record gives the topology of the periodic graph: each row represents an edge by specifying two vertex labels and a three-component integer vector that is the translational offset of the second vertex with respect to the first. The second two records are crystal structures. These specify a crystallographic space group and geometry for the net, one record for a maximal-volume unit cell and the other for a net geometry that attempts to enforce equal edge lengths. The second file "snet-analysis-raw.zip" contains the raw data used to build the s-net database table in EPINET. This data is the output of running the jython script "analyzeNetsForEpinet.py" on the surface-tiling periodic graphs. The files in the directory "output" have records labelled by surface tiling names and each record has the information we used to construct the s-net pages. Also included is the file "epinet3_tiling_sqc_table.txt": a look-up table that maps each surface tiling name to its s-net name.

Notes

2.
60 MB.

Significance statement

Compressed file downloads for the periodic net data in EPINET

Created: 2021

Data time period: 2006 to 2025

This dataset is part of a larger collection

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Subjects
Chemical Sciences | Combinatorics and Discrete Mathematics (Excl. Physical Combinatorics) | Condensed Matter Modelling and Density Functional Theory | Condensed Matter Physics | Mathematical Sciences | Macromolecular and Materials Chemistry | Mathematical Physics | Physical Sciences | Pure Mathematics | Statistical Mechanics, Physical Combinatorics and Mathematical Aspects of Condensed Matter | Theory and Design of Materials | crystallographic frameworks | hyperbolic tilings | periodic nets | reticular chemistry | triply periodic minimal surfaces |

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Identifiers
ACN 633 798 857