Net topology

kgp

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

JSON · mfpx

112 vertices and 168 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
I4132 (No. 214)
Cell lengths
a = 6.8598 Å, b = 6.8598 Å, c = 6.8598 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
112
Transitivity pqrs
3, 5, *, *
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 2 5 0 0 0 2 6 0 0 0 3 7 0 0 0 3 8 0 0 0 4 9 0 0 0 4 10 0 0 0 5 11 0 0 0 5 12 0 0 0 6 13 0 0 0 6 14 0 0 0 7 15 0 0 0 7 16 0 0 0 8 17 0 0 0 8 18 0 0 0 9 19 0 0 0 9 20 0 0 0 10 21 0 0 0 10 22 0 0 0 11 15 0 0 0 11 23 0 0 0 12 24 0 0 0 12 25 0 0 0 13 26 0 0 0 13 27 0 0 0 14 21 0 0 0 14 28 0 0 0 15 29 0 0 0 16 30 0 0 0 16 31 0 0 0 17 19 0 0 0 17 32 0 0 0 18 26 1 0 0 18 33 0 0 0 19 34 0 0 0 20 35 0 0 0 20 36 0 0 0 21 37 0 0 0 22 23 0 1 0 22 38 0 0 0 23 39 0 0 0 24 27 0 0 0 24 40 0 0 0 25 41 0 0 0 25 42 0 0 0 26 43 0 0 0 27 44 0 0 0 28 45 0 0 0 28 46 0 0 0 29 47 0 0 0 29 48 0 0 0 30 34 0 0 1 30 49 0 0 0 31 33 0 0 0 31 41 1 0 1 32 50 0 0 0 32 51 0 0 0 33 52 0 0 0 34 53 0 0 0 35 49 0 0 -1 35 54 0 0 0 36 38 0 0 0 36 45 0 0 -1 37 50 -1 1 0 37 53 -1 1 0 38 47 0 1 0 39 41 0 0 0 39 53 -1 0 0 40 46 -1 0 -1 40 47 -1 1 0 42 55 0 0 0 42 56 0 0 0 43 45 0 0 0 43 51 -1 0 0 44 48 -1 1 0 44 52 -1 0 0 46 55 1 0 1 48 49 0 0 0 50 55 2 -1 1 51 54 1 0 1 52 56 1 0 1 54 56 1 -1 0
(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
e5d867a1fb24d292f3b2de2aa729787b (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: 112 of 112 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. 112 of 112 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 I4132, 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 3 17.7.73 6 12 18 30 45 68 91 118 154
1 3 17.7.73 6 12 18 30 45 68 91 118 154
2 3 17.7.73 6 12 18 30 45 68 91 118 154
3 3 17.7.73 6 12 18 30 45 68 91 118 154
4 3 17.7.73 6 12 18 30 45 68 91 118 154
5 3 17.7.73 6 12 18 30 45 68 91 118 154
6 3 17.7.73 6 12 18 30 45 68 91 118 154
7 3 17.7.73 6 12 18 30 45 68 91 118 154
8 3 17.7.73 6 12 18 30 45 68 91 118 154
9 3 17.7.73 6 12 18 30 45 68 91 118 154
10 3 17.7.73 6 12 18 30 45 68 91 118 154
11 3 17.7.73 6 12 18 30 45 68 91 118 154
12 3 17.7.73 6 12 18 30 45 68 91 118 154
13 3 17.7.73 6 12 18 30 45 68 91 118 154
14 3 17.7.73 6 12 18 30 45 68 91 118 154
15 3 17.7.73 6 12 18 30 45 68 91 118 154
16 3 17.7.73 6 12 18 30 45 68 91 118 154
17 3 17.7.73 6 12 18 30 45 68 91 118 154
18 3 17.7.73 6 12 18 30 45 68 91 118 154
19 3 17.7.73 6 12 18 30 45 68 91 118 154
20 3 17.7.73 6 12 18 30 45 68 91 118 154
21 3 17.7.73 6 12 18 30 45 68 91 118 154
22 3 17.7.73 6 12 18 30 45 68 91 118 154
23 3 17.7.73 6 12 18 30 45 68 91 118 154
24 3 17.7.73 6 12 18 30 45 68 91 118 154
25 3 17.7.73 6 12 18 30 45 68 91 118 154
26 3 17.7.73 6 12 18 30 45 68 91 118 154
27 3 17.7.73 6 12 18 30 45 68 91 118 154
28 3 17.7.73 6 12 18 30 45 68 91 118 154
29 3 17.7.73 6 12 18 30 45 68 91 118 154
30 3 17.7.73 6 12 18 30 45 68 91 118 154
31 3 17.7.73 6 12 18 30 45 68 91 118 154
32 3 17.7.73 6 12 18 30 45 68 91 118 154
33 3 17.7.73 6 12 18 30 45 68 91 118 154
34 3 17.7.73 6 12 18 30 45 68 91 118 154
35 3 17.7.73 6 12 18 30 45 68 91 118 154
36 3 17.7.73 6 12 18 30 45 68 91 118 154
37 3 17.7.73 6 12 18 30 45 68 91 118 154
38 3 17.7.73 6 12 18 30 45 68 91 118 154
39 3 17.7.73 6 12 18 30 45 68 91 118 154
40 3 17.7.73 6 12 18 30 45 68 91 118 154
41 3 17.7.73 6 12 18 30 45 68 91 118 154
42 3 17.7.73 6 12 18 30 45 68 91 118 154
43 3 17.7.73 6 12 18 30 45 68 91 118 154
44 3 17.7.73 6 12 18 30 45 68 91 118 154
45 3 17.7.73 6 12 18 30 45 68 91 118 154
46 3 17.7.73 6 12 18 30 45 68 91 118 154
47 3 17.7.73 6 12 18 30 45 68 91 118 154
48 3 17.7.73 6 12 18 30 45 67 89 120 154
49 3 17.7.73 6 12 18 30 45 67 89 120 154
50 3 17.7.73 6 12 18 30 45 67 89 120 154
51 3 17.7.73 6 12 18 30 45 67 89 120 154
52 3 17.7.73 6 12 18 30 45 67 89 120 154
53 3 17.7.73 6 12 18 30 45 67 89 120 154
54 3 17.7.73 6 12 18 30 45 67 89 120 154
55 3 17.7.73 6 12 18 30 45 67 89 120 154
56 3 17.7.73 6 12 18 30 45 67 89 120 154
57 3 17.7.73 6 12 18 30 45 67 89 120 154
58 3 17.7.73 6 12 18 30 45 67 89 120 154
59 3 17.7.73 6 12 18 30 45 67 89 120 154
60 3 17.7.73 6 12 18 30 45 67 89 120 154
61 3 17.7.73 6 12 18 30 45 67 89 120 154
62 3 17.7.73 6 12 18 30 45 67 89 120 154
63 3 17.7.73 6 12 18 30 45 67 89 120 154
64 3 17.7.73 6 12 18 30 45 67 89 120 154
65 3 17.7.73 6 12 18 30 45 67 89 120 154
66 3 17.7.73 6 12 18 30 45 67 89 120 154
67 3 17.7.73 6 12 18 30 45 67 89 120 154
68 3 17.7.73 6 12 18 30 45 67 89 120 154
69 3 17.7.73 6 12 18 30 45 67 89 120 154
70 3 17.7.73 6 12 18 30 45 67 89 120 154
71 3 17.7.73 6 12 18 30 45 67 89 120 154
72 3 17.7.73 6 12 18 30 45 67 89 120 154
73 3 17.7.73 6 12 18 30 45 67 89 120 154
74 3 17.7.73 6 12 18 30 45 67 89 120 154
75 3 17.7.73 6 12 18 30 45 67 89 120 154
76 3 17.7.73 6 12 18 30 45 67 89 120 154
77 3 17.7.73 6 12 18 30 45 67 89 120 154
78 3 17.7.73 6 12 18 30 45 67 89 120 154
79 3 17.7.73 6 12 18 30 45 67 89 120 154
80 3 17.7.73 6 12 18 30 45 67 89 120 154
81 3 17.7.73 6 12 18 30 45 67 89 120 154
82 3 17.7.73 6 12 18 30 45 67 89 120 154
83 3 17.7.73 6 12 18 30 45 67 89 120 154
84 3 17.7.73 6 12 18 30 45 67 89 120 154
85 3 17.7.73 6 12 18 30 45 67 89 120 154
86 3 17.7.73 6 12 18 30 45 67 89 120 154
87 3 17.7.73 6 12 18 30 45 67 89 120 154
88 3 17.7.73 6 12 18 30 45 67 89 120 154
89 3 17.7.73 6 12 18 30 45 67 89 120 154
90 3 17.7.73 6 12 18 30 45 67 89 120 154
91 3 17.7.73 6 12 18 30 45 67 89 120 154
92 3 17.7.73 6 12 18 30 45 67 89 120 154
93 3 17.7.73 6 12 18 30 45 67 89 120 154
94 3 17.7.73 6 12 18 30 45 67 89 120 154
95 3 17.7.73 6 12 18 30 45 67 89 120 154
96 3 37.7.73 6 12 18 30 45 67 87 115 150
97 3 37.7.73 6 12 18 30 45 67 87 115 150
98 3 37.7.73 6 12 18 30 45 67 87 115 150
99 3 37.7.73 6 12 18 30 45 67 87 115 150
100 3 37.7.73 6 12 18 30 45 67 87 115 150
101 3 37.7.73 6 12 18 30 45 67 87 115 150
102 3 37.7.73 6 12 18 30 45 67 87 115 150
103 3 37.7.73 6 12 18 30 45 67 87 115 150
104 3 37.7.73 6 12 18 30 45 67 87 115 150
105 3 37.7.73 6 12 18 30 45 67 87 115 150
106 3 37.7.73 6 12 18 30 45 67 87 115 150
107 3 37.7.73 6 12 18 30 45 67 87 115 150
108 3 37.7.73 6 12 18 30 45 67 87 115 150
109 3 37.7.73 6 12 18 30 45 67 87 115 150
110 3 37.7.73 6 12 18 30 45 67 87 115 150
111 3 37.7.73 6 12 18 30 45 67 87 115 150

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)
I4132 (No. 214)
Transitivity p, q (mofplus-deposit)
3, 5 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)
24
Repeat-unit factor (mofplus-deposit)
2
RCSR identification (mofplus-deposit)
kgp
Computed Systre key (mofplus-deposit)
3 1 2 0 0 0 1 3 0 0 0 1 4 0 0 0 2 5 0 0 0 2 6 0 0 0 3 7 0 0 0 3 8 0 0 0 4 9 0 0 0 4 10 0 0 0 5 11 0 0 0 5 12 0 0 0 6 13 0 0 0 6 14 0 0 0 7 15 0 0 0 7 16 0 0 0 8 17 0 0 0 8 18 0 0 0 9 19 0 0 0 9 20 0 0 0 10 21 0 0 0 10 22 0 0 0 11 15 0 0 0 11 23 0 0 0 12 24 0 0 0 12 25 0 0 0 13 26 0 0 0 13 27 0 0 0 14 21 0 0 0 14 28 0 0 0 15 29 0 0 0 16 30 0 0 0 16 31 0 0 0 17 19 0 0 0 17 32 0 0 0 18 26 1 0 0 18 33 0 0 0 19 34 0 0 0 20 35 0 0 0 20 36 0 0 0 21 37 0 0 0 22 23 0 1 0 22 38 0 0 0 23 39 0 0 0 24 27 0 0 0 24 40 0 0 0 25 41 0 0 0 25 42 0 0 0 26 43 0 0 0 27 44 0 0 0 28 45 0 0 0 28 46 0 0 0 29 47 0 0 0 29 48 0 0 0 30 34 0 0 1 30 49 0 0 0 31 33 0 0 0 31 41 1 0 1 32 50 0 0 0 32 51 0 0 0 33 52 0 0 0 34 53 0 0 0 35 49 0 0 -1 35 54 0 0 0 36 38 0 0 0 36 45 0 0 -1 37 50 -1 1 0 37 53 -1 1 0 38 47 0 1 0 39 41 0 0 0 39 53 -1 0 0 40 46 -1 0 -1 40 47 -1 1 0 42 55 0 0 0 42 56 0 0 0 43 45 0 0 0 43 51 -1 0 0 44 48 -1 1 0 44 52 -1 0 0 46 55 1 0 1 48 49 0 0 0 50 55 2 -1 1 51 54 1 0 1 52 56 1 0 1 54 56 1 -1 0
Key against the archive (mofplus-deposit)
the same key, character for character
TD10 as Systre prints it (mofplus-deposit)
544
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)
543.8571428571429
Genus (mofplus-deposit)
29
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)
543.8571428571429
Genus (rcsr-archive-key)
29
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)
(7^3)
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, 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, 477.7.7 7.7.7 7^3 3 6 12 18 30 45 68 91 118 154
48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 957.7.7 7.7.7 7^3 3 6 12 18 30 45 67 89 120 154
96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 1117.7.7 7.7.7 7^3 3 6 12 18 30 45 67 87 115 150

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

Net point symbol (rcsr-archive-key)
(7^3)
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, 1, 2, 5, 7, 12, 17, 19, 24, 25, 28, 34, 35, 36, 37, 38, 40, 41, 46, 47, 48, 49, 52, 547.7.7 7.7.7 7^3 3 6 12 18 30 45 67 89 120 154
3, 4, 6, 8, 11, 13, 14, 16, 20, 21, 22, 26, 29, 30, 31, 32, 33, 39, 42, 43, 44, 45, 53, 557.7.7 7.7.7 7^3 3 6 12 18 30 45 68 91 118 154
9, 10, 15, 18, 23, 27, 50, 517.7.7 7.7.7 7^3 3 6 12 18 30 45 67 87 115 150

Cross-checks

Name against the computed key
corroborated-by-systre-key
Stored symbols against the computed ones
corroborated: 112 of 112 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones
corroborated: 112 of 112 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
kgp
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
1122 (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
2215 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.