Net topology

xas

Ingested production record from rcsr+mofplus. Per-field provenance in field_sources.

56 vertices and 144 edges in the unit cell. 36 of them leave the cell and continue into a neighbouring one; those are drawn in the accent colour and end at a hollow node. Squares are vertices of coordination 5 or more, circles of 4 or fewer. Drag to rotate, or focus the figure and use the arrow keys.

Crystallographic description

Spacegroup: Fd-3m (No. 227)
Cell lengths: a = 4.0000 Å, b = 4.0000 Å, c = 4.0000 Å
Cell angles: α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell: 56
Transitivity pqrs: 2, 2, *, *
Catenated: no; No, computed from the graph of the net itself rather than read off its name: mofpp.periodicity v1 finds a single copy, so it is not interpenetrated on the MOF+ deposit, the graph of the uploaded topology file. Interpenetration is counted here as the number of separate copies of the net that share one repeat unit, so this is a measurement of the topology and not a marker in a string.

Canonical key

Systre key: 3 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 6 0 0 0 1 7 0 0 0 2 8 0 0 0 2 9 0 0 0 2 10 0 0 0 2 11 0 0 0 3 8 0 0 0 3 11 1 0 0 3 12 0 0 0 3 13 0 0 0 4 9 0 0 0 4 10 1 1 0 4 12 0 0 0 4 13 0 1 0 5 9 1 0 1 5 10 0 0 0 5 12 0 0 1 5 13 0 0 0 6 8 1 1 1 6 11 0 0 0 6 12 0 0 1 6 13 0 1 0 7 8 1 1 1 7 9 1 0 1 7 10 1 1 0 7 11 1 0 0 8 14 0 0 0 9 14 0 0 0 10 14 0 0 1 11 14 0 0 1 12 14 0 0 0 13 14 1 0 1
(rcsr)The canonical Systre key, copied verbatim from the local RCSR Systre archive of 2019-06-01 — and corroborated here rather than carried on the word of the archive alone. Systre 19.6.0 was run on the MOF+ deposit, the graph of the uploaded topology file and computed the same key, character for character, so two independent statements of the canonical form of this net agree. The computed key is served under topology.symmetry with the graph it was computed from and the version that computed it. The checksum beside this key is still the one the archive carries, copied from the same block and neither computed nor verified here.
Checksum: ed51dc9b282f511e4b40c35de6e1b3f3 (rcsr)

Vertices

The mapping of coordination sequences onto vertex classes that the source supplied was checked against a walk over the periodic topology of the net itself, one walk per vertex class, and agreed. The sequences are the values the source supplied; the walk settled nothing but which class each one describes.

Corroborated: 56 of 56 stored symbols were recomputed from the topology of the net itself and agree, entry for entry. A vertex symbol of this collection names the shortest cycle at each angle of a vertex, and mofpp.rings v2 (mofplus-deposit) walks those cycles on the deposit graph. The strings shown are still the values the source supplied; what was checked is that they are the values this net has.

Site symmetry. 56 of 56 vertex rows carry one, attributed to computed:mofpp.site_symmetry-v1 (spglib-2.7.0, mofplus-deposit). The site symmetry on each vertex row is the point group of the operations of the net's ideal space group that leave that vertex where it is — its Wyckoff position in the net's maximum-symmetry embedding. It is a property of the net, not of any material built on it, and it is what says whether a four-coordinated vertex is tetrahedral (-43m) or square-planar (4/mmm) — a distinction the coordination number cannot make. Computed in Fd-3m, setting 2, by mofpp.site_symmetry v1 with spglib 2.7.0, from the embedding Systre 19.6.0 computed on the mofplus-deposit. spglib determined the same space group from those coordinates independently, which is a check of two different computations against each other rather than a restatement.

One row per distinct vertex. The coordination sequence counts how many vertices lie at each topological distance; the vertex symbol names the shortest ring at each angle of the vertex; the site symmetry is the vertex's Wyckoff position in the net's maximum-symmetry embedding. The three columns do not carry the same warrant: which of them was corroborated, which was not, and which was computed here, is stated above the table.
#	Coordination	Site symmetry	Vertex symbol	Coordination sequence
0	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
1	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
2	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
3	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
4	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
5	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
6	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
7	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
8	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
9	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
10	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
11	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
12	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
13	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
14	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
15	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
16	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
17	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
18	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
19	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
20	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
21	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
22	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
23	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
24	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
25	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
26	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
27	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
28	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
29	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
30	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
31	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
32	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
33	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
34	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
35	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
36	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
37	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
38	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
39	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
40	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
41	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
42	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
43	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
44	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
45	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
46	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
47	5	mm2	4.4.4.4.4.4.6.6.6(3).6(3)	5 15 32 57 89 128 173 226 285 352
48	6	-43m	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4)	6 12 28 60 90 114 174 252 286 306
49	6	-43m	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4)	6 12 28 60 90 114 174 252 286 306
50	6	-43m	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4)	6 12 28 60 90 114 174 252 286 306
51	6	-43m	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4)	6 12 28 60 90 114 174 252 286 306
52	6	-43m	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4)	6 12 28 60 90 114 174 252 286 306
53	6	-43m	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4)	6 12 28 60 90 114 174 252 286 306
54	6	-43m	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4)	6 12 28 60 90 114 174 252 286 306
55	6	-43m	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4)	6 12 28 60 90 114 174 252 286 306

Computed topology

Computed here from the quotient graph of the net itself, not transcribed from either source: periodicity, symmetry, invariants and rings, on the MOF+ deposit, the graph of the uploaded topology file and the RCSR archive key, the canonical key the archive states, by mofpp.invariants 2, mofpp.periodicity 1, mofpp.rings 2, mofpp.site_symmetry spglib-2.7.0 systre-19.6.0 v1 and systre 19.6.0 sha256:0d272e98a1a21669bc67a809b95c014ba2a2fb39a6fd2147039201216ab0d48d options:--systreKey wrapper:2. Each basis is analysed on its own and the results are never merged, because a MOF+ deposit and an RCSR archive key are two different graphs that usually describe the same net and sometimes do not. The transitivity r and s are computed by nothing in this project: they count the faces and the tiles of a natural tiling, and none is derived here. That is a measured limit rather than a job not yet done. The Gavrog library this project runs Systre from was tried on 2026-09-12: for a 3-periodic net it has no route from a net to a tiling at all, and for a 2-periodic net it has one that works, whose result is a plane tiling with faces and no tiles and so a transitivity triple rather than an r and an s. This block therefore states p and q and leaves r and s unknown rather than filling them. Every entry carries the tool, its version and input_checksum, the checksum of the graph that was actually analysed, so that a result computed from the graph this record holds now can be told from one computed before it changed. Nothing here rebuilds a graph to check that, so no entry below is claimed to be current.

Periodicity — the MOF+ deposit, the graph of the uploaded topology file

Periodicity (mofplus-deposit): 3-periodic
One connected net (mofplus-deposit): yes
Interpenetration (mofplus-deposit): 1 copy
Computed by (mofplus-deposit): mofpp.periodicity 1 — ok

Periodicity — the RCSR archive key, the canonical key the archive states

Periodicity (rcsr-archive-key): 3-periodic
One connected net (rcsr-archive-key): yes
Interpenetration (rcsr-archive-key): 1 copy
Computed by (rcsr-archive-key): mofpp.periodicity 1 — ok

Symmetry — the MOF+ deposit, the graph of the uploaded topology file

Systre found one connected net in the repeat unit, so the group, the kinds of node and edge, and the key below describe that net.

Ideal space group (mofplus-deposit): Fd-3m (No. 227) (second origin choice)
Transitivity p, q (mofplus-deposit): 2, 2 Kinds of node and of edge. r and s count the faces and tiles of a natural tiling, and none is derived here: the library this site runs Systre from cannot produce one for a 3-periodic net at all, and a 2-periodic net tiles the plane, which has faces and no tiles. They stay unknown rather than being filled.
Point-group order (mofplus-deposit): 48
Repeat-unit factor (mofplus-deposit): 4
RCSR identification (mofplus-deposit): xas
Computed Systre key (mofplus-deposit): 3 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 1 5 0 0 0 1 6 0 0 0 1 7 0 0 0 2 8 0 0 0 2 9 0 0 0 2 10 0 0 0 2 11 0 0 0 3 8 0 0 0 3 11 1 0 0 3 12 0 0 0 3 13 0 0 0 4 9 0 0 0 4 10 1 1 0 4 12 0 0 0 4 13 0 1 0 5 9 1 0 1 5 10 0 0 0 5 12 0 0 1 5 13 0 0 0 6 8 1 1 1 6 11 0 0 0 6 12 0 0 1 6 13 0 1 0 7 8 1 1 1 7 9 1 0 1 7 10 1 1 0 7 11 1 0 0 8 14 0 0 0 9 14 0 0 0 10 14 0 0 1 11 14 0 0 1 12 14 0 0 0 13 14 1 0 1
Key against the archive (mofplus-deposit): the same key, character for character
TD10 as Systre prints it (mofplus-deposit): 1358
Computed by (symmetry, mofplus-deposit): systre 19.6.0 sha256:0d272e98a1a21669bc67a809b95c014ba2a2fb39a6fd2147039201216ab0d48d options:--systreKey wrapper:2 — ok

Invariants — the MOF+ deposit, the graph of the uploaded topology file

TD10, exact (mofplus-deposit): 1358.142857142857
Genus (mofplus-deposit): 23
Shells walked (mofplus-deposit): 10
Computed by (invariants, mofplus-deposit): mofpp.invariants 2 — ok

Invariants — the RCSR archive key, the canonical key the archive states

TD10, exact (rcsr-archive-key): 1358.142857142857
Genus (rcsr-archive-key): 23
Shells walked (rcsr-archive-key): 10
Computed by (invariants, rcsr-archive-key): mofpp.invariants 2 — ok

Rings — the MOF+ deposit, the graph of the uploaded topology file

Net point symbol (mofplus-deposit): (4^6.6^4)6(4^12.6^3)
Longest ring searched (mofplus-deposit): 40 Some angle of this net has no ring within that bound. Those angles are written * rather than given a ring that was never found.
Computed by (rings, mofplus-deposit): mofpp.rings 2 — ok

Computed from the graph itself, one row per set of vertices carrying the same symbols. The cycle symbol follows the MOF+ convention — the shortest cycle at each angle — and is the one comparable with the stored column above; the RCSR ring symbol names the shortest *ring* at each angle, with * where none exists within the bound, and is a different quantity.
Vertices	Cycle symbol (MOF+ convention)	RCSR ring symbol	Point symbol	Coordination sequence
0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47	4.4.4.4.4.4.6.6.6(3).6(3)	4.4.4.4.4.4.6(2).6(2).8.8	4^6.6^4	5 15 32 57 89 128 173 226 285 352
48, 49, 50, 51, 52, 53, 54, 55	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4) 3 angles have no ring of at most 40 edges	4.4.4.4.4.4.4.4.4.4.4.4...*	4^12.6^3	6 12 28 60 90 114 174 252 286 306

Rings — the RCSR archive key, the canonical key the archive states

Net point symbol (rcsr-archive-key): (4^6.6^4)6(4^12.6^3)
Longest ring searched (rcsr-archive-key): 40 Some angle of this net has no ring within that bound. Those angles are written * rather than given a ring that was never found.
Computed by (rings, rcsr-archive-key): mofpp.rings 2 — ok

Computed from the graph itself, one row per set of vertices carrying the same symbols. The cycle symbol follows the MOF+ convention — the shortest cycle at each angle — and is the one comparable with the stored column above; the RCSR ring symbol names the shortest *ring* at each angle, with * where none exists within the bound, and is a different quantity.
Vertices	Cycle symbol (MOF+ convention)	RCSR ring symbol	Point symbol	Coordination sequence
0, 13	4.4.4.4.4.4.4.4.4.4.4.4.6(4).6(4).6(4) 3 angles have no ring of at most 40 edges	4.4.4.4.4.4.4.4.4.4.4.4...*	4^12.6^3	6 12 28 60 90 114 174 252 286 306
1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12	4.4.4.4.4.4.6.6.6(3).6(3)	4.4.4.4.4.4.6(2).6(2).8.8	4^6.6^4	5 15 32 57 89 128 173 226 285 352

Cross-checks

Name against the computed key: corroborated-by-systre-key
Stored symbols against the computed ones: corroborated: 56 of 56 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones: corroborated: 56 of 56 vertex rows agree with mofpp.invariants v2 (mofplus-deposit), compared on the stored length.
Catenation against the name heuristic: No; agrees with the computed value

Provenance

Source: rcsr+mofplus — reconciled from both, field by field
Identifier at the source: xas
Retrieved: 2026-09-09
Licence: CC BY 4.0 — verified from MOF++ project decision, CONTEXT §6 (Licensing): MOF+ is this group's own service, so nets retrieved from it are the project's own data to license, and the project licenses its data CC BY 4.0. No third-party grant is claimed..
Published: yes

Position in the collection

RCSR index: 2700 (derived) Derived by this site, not published by RCSR: the 1-based position of the symbol in the ascending ASCII-lexicographic ordering of the 2930 symbols in the RCSR Systre archive of 2019-06-01. RCSR does not number its nets; this is our ordering of their symbols and nothing more.
Complexity rank: 1949 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.

Download

Topology.mfpx
Metadata.json

Cite this record

MOF++ contributors (2026). xas [net]. MOF++ dataset release unreleased. Record: https://mofpp.ramabile.casa/net/xas

Permanent URI: https://mofpp.ramabile.casa/net/xas
No dataset DOI has been registered yet — cite the URI and the release version. Why per-record DOIs are not minted.

Licence

CC BY 4.0

Creative Commons Attribution 4.0 International. The licence is recorded on the record itself, not site-wide — deposits may arrive under different terms.

Cite the source

Reticular Chemistry Structure Resource (RCSR) asks to be cited:

M. O'Keeffe, M. A. Peskov, S. J. Ramsden and O. M. Yaghi, 'The Reticular Chemistry Structure Resource (RCSR) Database of, and Symbols for, Crystal Nets', Acc. Chem. Res. 2008, 41, 1782-1789. DOI: 10.1021/ar800124u

© 2019 RCSR.net — https://rcsr.anu.edu.au
This reference is for the resource, not for this net. RCSR publishes a primary reference per net, but the Systre archive distributed as RCSRnets-2019-06-01.arc carries an empty 'ref' field in all 2930 records. The citation shown is for the RCSR resource as a whole, not for this net specifically.

From a script

from mofplus import user_api
api = user_api()
api.get_net("xas")

Or without the client: curl https://mofpp.ramabile.casa/net/xas.json