Net topology

dna

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

JSON · mfpx

68 vertices and 144 edges in the unit cell. 48 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
Im-3m (No. 229)
Cell lengths
a = 4.8990 Å, b = 4.8990 Å, c = 4.8990 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
68
Transitivity pqrs
3, 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 1 8 0 0 0 1 9 0 0 0 2 10 0 0 0 2 11 0 0 0 3 10 0 0 0 3 12 0 0 0 4 11 0 0 0 4 13 0 0 0 5 12 0 0 0 5 14 0 0 0 6 13 0 0 0 6 15 0 0 0 7 14 0 0 0 7 16 0 0 0 8 15 0 0 0 8 17 0 0 0 9 16 0 0 0 9 17 0 0 0 10 18 0 0 0 10 19 0 0 0 10 20 0 0 0 10 21 0 0 0 11 20 0 0 0 11 22 0 0 0 11 23 0 0 0 11 24 0 0 0 11 25 0 0 0 11 26 0 0 0 12 21 0 0 0 12 23 1 0 0 12 24 1 0 0 12 27 0 0 0 12 28 0 0 0 12 29 0 0 0 13 24 0 0 0 13 29 -1 0 0 13 30 0 0 0 13 31 0 0 0 14 23 1 0 0 14 26 1 0 0 14 32 0 0 0 14 33 0 0 0 15 18 0 0 1 15 20 0 0 1 15 22 0 0 1 15 31 0 0 0 15 32 0 1 0 15 33 0 1 0 16 19 -1 -1 1 16 21 -1 -1 1 16 27 -1 -1 1 16 30 0 -1 0 16 31 0 -1 0 16 32 0 0 0 17 22 0 0 1 17 25 0 0 1 17 27 -1 -1 1 17 28 -1 -1 1 18 34 0 0 0 19 34 0 0 0 25 34 -1 -1 1 26 34 -1 -1 1 28 34 0 0 1 29 34 0 0 1 30 34 -1 0 1 33 34 0 -1 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
1010da114f81146e73fd4ad942fb7ff9 (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: 68 of 68 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. 68 of 68 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 Im-3m, setting the conventional one, 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 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
1 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
2 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
3 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
4 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
5 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
6 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
7 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
8 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
9 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
10 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
11 8 -42m4.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8)8 8 32 22 80 52 168 90 280 152
12 6 -3m4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8)6 6 30 24 78 42 150 96 270 128
13 6 -3m4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8)6 6 30 24 78 42 150 96 270 128
14 6 -3m4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8)6 6 30 24 78 42 150 96 270 128
15 6 -3m4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8)6 6 30 24 78 42 150 96 270 128
16 6 -3m4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8)6 6 30 24 78 42 150 96 270 128
17 6 -3m4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8)6 6 30 24 78 42 150 96 270 128
18 6 -3m4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8)6 6 30 24 78 42 150 96 270 128
19 6 -3m4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8)6 6 30 24 78 42 150 96 270 128
20 3 m4.4.43 16 13 50 33 112 67 214 115 341
21 3 m4.4.43 16 13 50 33 112 67 214 115 341
22 3 m4.4.43 16 13 50 33 112 67 214 115 341
23 3 m4.4.43 16 13 50 33 112 67 214 115 341
24 3 m4.4.43 16 13 50 33 112 67 214 115 341
25 3 m4.4.43 16 13 50 33 112 67 214 115 341
26 3 m4.4.43 16 13 50 33 112 67 214 115 341
27 3 m4.4.43 16 13 50 33 112 67 214 115 341
28 3 m4.4.43 16 13 50 33 112 67 214 115 341
29 3 m4.4.43 16 13 50 33 112 67 214 115 341
30 3 m4.4.43 16 13 50 33 112 67 214 115 341
31 3 m4.4.43 16 13 50 33 112 67 214 115 341
32 3 m4.4.43 16 13 50 33 112 67 214 115 341
33 3 m4.4.43 16 13 50 33 112 67 214 115 341
34 3 m4.4.43 16 13 50 33 112 67 214 115 341
35 3 m4.4.43 16 13 50 33 112 67 214 115 341
36 3 m4.4.43 16 13 50 33 112 67 214 115 341
37 3 m4.4.43 16 13 50 33 112 67 214 115 341
38 3 m4.4.43 16 13 50 33 112 67 214 115 341
39 3 m4.4.43 16 13 50 33 112 67 214 115 341
40 3 m4.4.43 16 13 50 33 112 67 214 115 341
41 3 m4.4.43 16 13 50 33 112 67 214 115 341
42 3 m4.4.43 16 13 50 33 112 67 214 115 341
43 3 m4.4.43 16 13 50 33 112 67 214 115 341
44 3 m4.4.43 16 13 50 33 112 67 214 115 341
45 3 m4.4.43 16 13 50 33 112 67 214 115 341
46 3 m4.4.43 16 13 50 33 112 67 214 115 341
47 3 m4.4.43 16 13 50 33 112 67 214 115 341
48 3 m4.4.43 16 13 50 33 112 67 214 115 341
49 3 m4.4.43 16 13 50 33 112 67 214 115 341
50 3 m4.4.43 16 13 50 33 112 67 214 115 341
51 3 m4.4.43 16 13 50 33 112 67 214 115 341
52 3 m4.4.43 16 13 50 33 112 67 214 115 341
53 3 m4.4.43 16 13 50 33 112 67 214 115 341
54 3 m4.4.43 16 13 50 33 112 67 214 115 341
55 3 m4.4.43 16 13 50 33 112 67 214 115 341
56 3 m4.4.43 16 13 50 33 112 67 214 115 341
57 3 m4.4.43 16 13 50 33 112 67 214 115 341
58 3 m4.4.43 16 13 50 33 112 67 214 115 341
59 3 m4.4.43 16 13 50 33 112 67 214 115 341
60 3 m4.4.43 16 13 50 33 112 67 214 115 341
61 3 m4.4.43 16 13 50 33 112 67 214 115 341
62 3 m4.4.43 16 13 50 33 112 67 214 115 341
63 3 m4.4.43 16 13 50 33 112 67 214 115 341
64 3 m4.4.43 16 13 50 33 112 67 214 115 341
65 3 m4.4.43 16 13 50 33 112 67 214 115 341
66 3 m4.4.43 16 13 50 33 112 67 214 115 341
67 3 m4.4.43 16 13 50 33 112 67 214 115 341

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)
Im-3m (No. 229)
Transitivity p, q (mofplus-deposit)
3, 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)
2
RCSR identification (mofplus-deposit)
dna
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 1 8 0 0 0 1 9 0 0 0 2 10 0 0 0 2 11 0 0 0 3 10 0 0 0 3 12 0 0 0 4 11 0 0 0 4 13 0 0 0 5 12 0 0 0 5 14 0 0 0 6 13 0 0 0 6 15 0 0 0 7 14 0 0 0 7 16 0 0 0 8 15 0 0 0 8 17 0 0 0 9 16 0 0 0 9 17 0 0 0 10 18 0 0 0 10 19 0 0 0 10 20 0 0 0 10 21 0 0 0 11 20 0 0 0 11 22 0 0 0 11 23 0 0 0 11 24 0 0 0 11 25 0 0 0 11 26 0 0 0 12 21 0 0 0 12 23 1 0 0 12 24 1 0 0 12 27 0 0 0 12 28 0 0 0 12 29 0 0 0 13 24 0 0 0 13 29 -1 0 0 13 30 0 0 0 13 31 0 0 0 14 23 1 0 0 14 26 1 0 0 14 32 0 0 0 14 33 0 0 0 15 18 0 0 1 15 20 0 0 1 15 22 0 0 1 15 31 0 0 0 15 32 0 1 0 15 33 0 1 0 16 19 -1 -1 1 16 21 -1 -1 1 16 27 -1 -1 1 16 30 0 -1 0 16 31 0 -1 0 16 32 0 0 0 17 22 0 0 1 17 25 0 0 1 17 27 -1 -1 1 17 28 -1 -1 1 18 34 0 0 0 19 34 0 0 0 25 34 -1 -1 1 26 34 -1 -1 1 28 34 0 0 1 29 34 0 0 1 30 34 -1 0 1 33 34 0 -1 1
Key against the archive (mofplus-deposit)
the same key, character for character
TD10 as Systre prints it (mofplus-deposit)
937
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)
936.5294117647059
Genus (mofplus-deposit)
39
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)
936.5294117647059
Genus (rcsr-archive-key)
39
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)
(4^3)12(4^6.6^6.8^3)2(4^8.6^8.8^12)3
Longest ring searched (mofplus-deposit)
40
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, 114.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8) 4.4.4.4.4.4.4.4.6.6.6.6.6.6.6.6.8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).18(8).18(8).18(8).18(8) 4^8.6^8.8^12 8 8 32 22 80 52 168 90 280 152
12, 13, 14, 15, 16, 17, 18, 194.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8) 4.4.4.4.4.4.6.6.6.6.6.6.20(320).20(320).20(320) 4^6.6^6.8^3 6 6 30 24 78 42 150 96 270 128
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, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 674.4.4 4.4.4 4^3 3 16 13 50 33 112 67 214 115 341

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

Net point symbol (rcsr-archive-key)
(4^3)12(4^6.6^6.8^3)2(4^8.6^8.8^12)3
Longest ring searched (rcsr-archive-key)
40
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, 10, 11, 14, 15, 334.4.4.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).6(2).6(2).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(8).8(8).8(8).8(8) 4.4.4.4.4.4.4.4.6.6.6.6.6.6.6.6.8(4).8(4).8(4).8(4).8(4).8(4).8(4).8(4).18(8).18(8).18(8).18(8) 4^8.6^8.8^12 8 8 32 22 80 52 168 90 280 152
1, 2, 3, 4, 5, 6, 7, 8, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 324.4.4 4.4.4 4^3 3 16 13 50 33 112 67 214 115 341
9, 12, 13, 164.4.4.4.4.4.6(2).6(2).6(2).6(2).6(2).6(2).8(8).8(8).8(8) 4.4.4.4.4.4.6.6.6.6.6.6.20(320).20(320).20(320) 4^6.6^6.8^3 6 6 30 24 78 42 150 96 270 128

Cross-checks

Name against the computed key
corroborated-by-systre-key
Stored symbols against the computed ones
corroborated: 68 of 68 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones
corroborated: 68 of 68 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
dna
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
481 (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
2009 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.