Periodic net records from the EPINET database: sqc1 to sqc14645

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.
Type
collection
Title
Periodic net records from the EPINET database: sqc1 to sqc14645
Collection Type
Dataset
Access Privileges
Research School of Physics
DOI - Digital Object Identifier
10.25911/hq20-mj54
Website Address
https://epinet.anu.edu.au/
Significance Statement
Compressed file downloads for the periodic net data in EPINET
Brief Description
The datafiles are two compressed directories that contain essential data for the s-nets sqcN, N = 1 to 14645.
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.
Contact Email
Vanessa.Robins@anu.edu.au
Contact Address
60 Mills Road, Research School of Physics, The Australian National University
Contact Phone Number
+61 2 6125 9603
Principal Investigator
Stephen Hyde
Collaborators
Stuart Ramsden; Olaf Delgado-Friedrichs
Fields of Research
340309 - Theory and design of materials; 490206 - Statistical mechanics, physical combinatorics and mathematical aspects of condensed matter; 490404 - Combinatorics and discrete mathematics (excl. physical combinatorics); 510403 - Condensed matter modelling and density functional theory
Socio-Economic Objective
280120 - Expanding knowledge in the physical sciences
Keywords
reticular chemistry; periodic nets; hyperbolic tilings; triply periodic minimal surfaces; crystallographic frameworks
Type of Research Activity
Strategic basic research
Date Coverage
2025
2006
Date of data creation
2021
Year of data publication
2022
Creator(s) for Citation
Robins
Vanessa
Ramsden
Stuart
Hyde
Stephen
Delgado-Friedrichs
Olaf
Publisher for Citation
The Australian National University Data Commons
Publications
10.1107/S0108767308040592
Acta Cryst A Foundations and Advances, 65:2 (2009) pp 81-108
Three-dimensional Euclidean nets from two-dimensional hyperbolic tilings: kaleidoscopic examples
doi
10.1016/j.solidstatesciences.2006.04.001
Solid State Sciences, 8:7 (2006) pp 740-752
Towards enumeration of crystalline frameworks: the 2D hyperbolic approach
doi
Related Websites
EPINET: Euclidean Patterns in Non-Euclidean Tilings
https://epinet.anu.edu.au/
Access Rights
Open Access allowed (see rights held in and over resource below)
Access Rights Type
Open
Rights held in and over the data
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.
Licence Type
CC-BY-NC-SA - Attribution-NonCommercial-SharedAlike (Version 4.0)
Retention Period
Indefinitely
Extent or Quantity
2
Data Size
60 MB
Data Management Plan
No

Download data files

Number of files: 2

Size: 60 MB

Identifier: anudc:6420

Status: Published
Published to:
  • Australian National University
  • Australian National Data Service
Related items