Net topology

kgi

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

JSON · mfpx

112 vertices and 168 edges in the unit cell. 42 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 = 5.9968 Å, b = 5.9968 Å, c = 5.9968 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 22 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 21 38 0 0 0 22 39 0 0 0 23 40 0 0 0 23 41 0 0 0 24 27 0 0 0 24 42 0 0 0 25 43 0 0 0 25 44 0 0 0 26 45 0 0 0 27 46 0 0 0 28 47 0 0 0 28 48 0 0 0 29 39 0 1 0 29 49 0 0 0 30 42 1 1 0 30 50 0 0 0 31 33 0 0 0 31 36 0 0 1 32 51 0 0 0 32 52 0 0 0 33 53 0 0 0 34 44 2 1 1 34 48 1 1 0 35 37 0 0 0 35 42 1 1 -1 36 54 0 0 0 37 55 0 0 0 38 49 0 -1 0 38 52 -1 0 -1 39 56 0 0 0 40 53 -1 0 -1 40 56 0 1 0 41 44 0 0 0 41 51 -2 -1 -1 43 47 -1 0 -1 43 50 -1 -1 0 45 47 0 0 0 45 52 -1 0 0 46 53 -1 0 0 46 55 -1 -1 1 48 54 -1 -1 0 49 50 0 0 0 51 55 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
74437d83fb8c4f82a3b9ec995bb9dfff (rcsr)

Vertices

The sequences below are the values the source supplied, byte for byte, but not in the order it stored them. The positional mapping of sequences onto vertex classes disagreed with a walk over the periodic topology of the net itself, and each sequence was attached to the class whose walk it matches. Which classes disagreed, and which stored row each one now takes its sequence from, is in field_sources under cs_topology_mismatch and cs_class_mapping. Nothing was computed into the record: no sequence was extended, repaired or replaced by a walked one.

class(es) [1, 2]: the sequence the source stored at that position disagrees with the sequence walked from that class's own connectivity. A fact about the source, recorded whether or not the mapping was afterwards resolved.

class -> the stored row its sequence was taken from: {'1': 2, '2': 1}. The values are the source's own, byte for byte; only which class each one describes was settled here, and only for the classes named.

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 72 108 148 201
1 3 17.7.73 6 12 18 30 45 72 108 148 201
2 3 17.7.73 6 12 18 30 45 72 108 148 201
3 3 17.7.73 6 12 18 30 45 72 108 148 201
4 3 17.7.73 6 12 18 30 45 72 108 148 201
5 3 17.7.73 6 12 18 30 45 72 108 148 201
6 3 17.7.73 6 12 18 30 45 72 108 148 201
7 3 17.7.73 6 12 18 30 45 72 108 148 201
8 3 17.7.73 6 12 18 30 45 72 108 148 201
9 3 17.7.73 6 12 18 30 45 72 108 148 201
10 3 17.7.73 6 12 18 30 45 72 108 148 201
11 3 17.7.73 6 12 18 30 45 72 108 148 201
12 3 17.7.73 6 12 18 30 45 72 108 148 201
13 3 17.7.73 6 12 18 30 45 72 108 148 201
14 3 17.7.73 6 12 18 30 45 72 108 148 201
15 3 17.7.73 6 12 18 30 45 72 108 148 201
16 3 17.7.73 6 12 18 30 45 72 108 148 201
17 3 17.7.73 6 12 18 30 45 72 108 148 201
18 3 17.7.73 6 12 18 30 45 72 108 148 201
19 3 17.7.73 6 12 18 30 45 72 108 148 201
20 3 17.7.73 6 12 18 30 45 72 108 148 201
21 3 17.7.73 6 12 18 30 45 72 108 148 201
22 3 17.7.73 6 12 18 30 45 72 108 148 201
23 3 17.7.73 6 12 18 30 45 72 108 148 201
24 3 17.7.73 6 12 18 30 45 72 108 148 201
25 3 17.7.73 6 12 18 30 45 72 108 148 201
26 3 17.7.73 6 12 18 30 45 72 108 148 201
27 3 17.7.73 6 12 18 30 45 72 108 148 201
28 3 17.7.73 6 12 18 30 45 72 108 148 201
29 3 17.7.73 6 12 18 30 45 72 108 148 201
30 3 17.7.73 6 12 18 30 45 72 108 148 201
31 3 17.7.73 6 12 18 30 45 72 108 148 201
32 3 17.7.73 6 12 18 30 45 72 108 148 201
33 3 17.7.73 6 12 18 30 45 72 108 148 201
34 3 17.7.73 6 12 18 30 45 72 108 148 201
35 3 17.7.73 6 12 18 30 45 72 108 148 201
36 3 17.7.73 6 12 18 30 45 72 108 148 201
37 3 17.7.73 6 12 18 30 45 72 108 148 201
38 3 17.7.73 6 12 18 30 45 72 108 148 201
39 3 17.7.73 6 12 18 30 45 72 108 148 201
40 3 17.7.73 6 12 18 30 45 72 108 148 201
41 3 17.7.73 6 12 18 30 45 72 108 148 201
42 3 17.7.73 6 12 18 30 45 72 108 148 201
43 3 17.7.73 6 12 18 30 45 72 108 148 201
44 3 17.7.73 6 12 18 30 45 72 108 148 201
45 3 17.7.73 6 12 18 30 45 72 108 148 201
46 3 17.7.73 6 12 18 30 45 72 108 148 201
47 3 17.7.73 6 12 18 30 45 72 108 148 201
48 3 17.7.73 6 12 18 30 45 72 106 143 199
49 3 17.7.73 6 12 18 30 45 72 106 143 199
50 3 17.7.73 6 12 18 30 45 72 106 143 199
51 3 17.7.73 6 12 18 30 45 72 106 143 199
52 3 17.7.73 6 12 18 30 45 72 106 143 199
53 3 17.7.73 6 12 18 30 45 72 106 143 199
54 3 17.7.73 6 12 18 30 45 72 106 143 199
55 3 17.7.73 6 12 18 30 45 72 106 143 199
56 3 17.7.73 6 12 18 30 45 72 106 143 199
57 3 17.7.73 6 12 18 30 45 72 106 143 199
58 3 17.7.73 6 12 18 30 45 72 106 143 199
59 3 17.7.73 6 12 18 30 45 72 106 143 199
60 3 17.7.73 6 12 18 30 45 72 106 143 199
61 3 17.7.73 6 12 18 30 45 72 106 143 199
62 3 17.7.73 6 12 18 30 45 72 106 143 199
63 3 17.7.73 6 12 18 30 45 72 106 143 199
64 3 17.7.73 6 12 18 30 45 72 106 143 199
65 3 17.7.73 6 12 18 30 45 72 106 143 199
66 3 17.7.73 6 12 18 30 45 72 106 143 199
67 3 17.7.73 6 12 18 30 45 72 106 143 199
68 3 17.7.73 6 12 18 30 45 72 106 143 199
69 3 17.7.73 6 12 18 30 45 72 106 143 199
70 3 17.7.73 6 12 18 30 45 72 106 143 199
71 3 17.7.73 6 12 18 30 45 72 106 143 199
72 3 17.7.73 6 12 18 30 45 72 106 143 199
73 3 17.7.73 6 12 18 30 45 72 106 143 199
74 3 17.7.73 6 12 18 30 45 72 106 143 199
75 3 17.7.73 6 12 18 30 45 72 106 143 199
76 3 17.7.73 6 12 18 30 45 72 106 143 199
77 3 17.7.73 6 12 18 30 45 72 106 143 199
78 3 17.7.73 6 12 18 30 45 72 106 143 199
79 3 17.7.73 6 12 18 30 45 72 106 143 199
80 3 17.7.73 6 12 18 30 45 72 106 143 199
81 3 17.7.73 6 12 18 30 45 72 106 143 199
82 3 17.7.73 6 12 18 30 45 72 106 143 199
83 3 17.7.73 6 12 18 30 45 72 106 143 199
84 3 17.7.73 6 12 18 30 45 72 106 143 199
85 3 17.7.73 6 12 18 30 45 72 106 143 199
86 3 17.7.73 6 12 18 30 45 72 106 143 199
87 3 17.7.73 6 12 18 30 45 72 106 143 199
88 3 17.7.73 6 12 18 30 45 72 106 143 199
89 3 17.7.73 6 12 18 30 45 72 106 143 199
90 3 17.7.73 6 12 18 30 45 72 106 143 199
91 3 17.7.73 6 12 18 30 45 72 106 143 199
92 3 17.7.73 6 12 18 30 45 72 106 143 199
93 3 17.7.73 6 12 18 30 45 72 106 143 199
94 3 17.7.73 6 12 18 30 45 72 106 143 199
95 3 17.7.73 6 12 18 30 45 72 106 143 199
96 3 37.7.73 6 12 18 30 45 72 111 152 204
97 3 37.7.73 6 12 18 30 45 72 111 152 204
98 3 37.7.73 6 12 18 30 45 72 111 152 204
99 3 37.7.73 6 12 18 30 45 72 111 152 204
100 3 37.7.73 6 12 18 30 45 72 111 152 204
101 3 37.7.73 6 12 18 30 45 72 111 152 204
102 3 37.7.73 6 12 18 30 45 72 111 152 204
103 3 37.7.73 6 12 18 30 45 72 111 152 204
104 3 37.7.73 6 12 18 30 45 72 111 152 204
105 3 37.7.73 6 12 18 30 45 72 111 152 204
106 3 37.7.73 6 12 18 30 45 72 111 152 204
107 3 37.7.73 6 12 18 30 45 72 111 152 204
108 3 37.7.73 6 12 18 30 45 72 111 152 204
109 3 37.7.73 6 12 18 30 45 72 111 152 204
110 3 37.7.73 6 12 18 30 45 72 111 152 204
111 3 37.7.73 6 12 18 30 45 72 111 152 204

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)
kgi
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 22 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 21 38 0 0 0 22 39 0 0 0 23 40 0 0 0 23 41 0 0 0 24 27 0 0 0 24 42 0 0 0 25 43 0 0 0 25 44 0 0 0 26 45 0 0 0 27 46 0 0 0 28 47 0 0 0 28 48 0 0 0 29 39 0 1 0 29 49 0 0 0 30 42 1 1 0 30 50 0 0 0 31 33 0 0 0 31 36 0 0 1 32 51 0 0 0 32 52 0 0 0 33 53 0 0 0 34 44 2 1 1 34 48 1 1 0 35 37 0 0 0 35 42 1 1 -1 36 54 0 0 0 37 55 0 0 0 38 49 0 -1 0 38 52 -1 0 -1 39 56 0 0 0 40 53 -1 0 -1 40 56 0 1 0 41 44 0 0 0 41 51 -2 -1 -1 43 47 -1 0 -1 43 50 -1 -1 0 45 47 0 0 0 45 52 -1 0 0 46 53 -1 0 0 46 55 -1 -1 1 48 54 -1 -1 0 49 50 0 0 0 51 55 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)
642
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)
641.5714285714286
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)
641.5714285714286
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 72 108 148 201
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 72 106 143 199
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 72 111 152 204

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, 20, 22, 25, 29, 33, 34, 36, 37, 39, 40, 41, 43, 47, 48, 49, 53, 557.7.7 7.7.7 7^3 3 6 12 18 30 45 72 106 143 199
3, 4, 6, 9, 10, 13, 15, 16, 18, 19, 23, 24, 26, 27, 28, 32, 35, 38, 42, 44, 50, 51, 52, 547.7.7 7.7.7 7^3 3 6 12 18 30 45 72 108 148 201
8, 11, 14, 21, 30, 31, 45, 467.7.7 7.7.7 7^3 3 6 12 18 30 45 72 111 152 204

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
kgi
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
1115 (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
2214 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.