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Net topology

bpr

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

JSON · mfpx

96 vertices and 144 edges in the unit cell. 24 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
Ia-3d (No. 230)
Cell lengths
a = 5.8540 Å, b = 5.8540 Å, c = 5.8540 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
96
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 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 12 1 0 0 7 15 0 0 0 8 16 0 0 0 8 17 0 0 0 9 18 0 0 0 9 19 0 0 0 10 20 0 0 0 10 21 0 0 0 11 22 0 0 0 11 23 0 0 0 12 24 0 0 0 13 25 0 0 0 13 26 0 0 0 14 27 0 0 0 14 28 0 0 0 15 25 0 0 1 15 28 0 1 0 16 22 0 0 1 16 29 0 0 0 17 23 0 -1 1 17 30 0 0 0 18 24 1 -1 0 18 31 0 0 0 19 30 0 0 0 19 32 0 0 0 20 27 0 0 0 20 33 0 0 0 21 24 0 -1 1 21 34 0 0 0 22 35 0 0 0 23 36 0 0 0 25 37 0 0 0 26 36 0 0 0 26 38 0 0 0 27 39 0 0 0 28 40 0 0 0 29 38 -1 0 1 29 40 0 1 0 30 41 0 0 0 31 37 0 -1 1 31 39 1 0 0 32 35 1 0 0 32 42 0 0 0 33 37 -1 0 1 33 43 0 0 0 34 35 0 -1 1 34 41 -1 0 0 36 44 0 0 0 38 45 0 0 0 39 46 0 0 0 40 44 0 -1 0 41 47 0 0 0 42 45 0 0 0 42 46 1 0 0 43 45 -1 0 1 43 47 -1 0 0 44 48 0 0 0 46 48 0 -1 0 47 48 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
5fc96ef186dba0769274e9098d60300c (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: 96 of 96 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. 96 of 96 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 Ia-3d, 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 28.8.12(4)3 6 12 22 40 66 89 118 155 186
1 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
2 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
3 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
4 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
5 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
6 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
7 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
8 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
9 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
10 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
11 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
12 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
13 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
14 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
15 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
16 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
17 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
18 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
19 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
20 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
21 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
22 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
23 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
24 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
25 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
26 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
27 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
28 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
29 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
30 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
31 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
32 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
33 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
34 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
35 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
36 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
37 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
38 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
39 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
40 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
41 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
42 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
43 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
44 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
45 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
46 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
47 3 28.8.12(4)3 6 12 22 40 66 89 118 155 186
48 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
49 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
50 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
51 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
52 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
53 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
54 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
55 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
56 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
57 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
58 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
59 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
60 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
61 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
62 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
63 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
64 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
65 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
66 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
67 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
68 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
69 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
70 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
71 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
72 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
73 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
74 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
75 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
76 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
77 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
78 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
79 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
80 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
81 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
82 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
83 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
84 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
85 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
86 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
87 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
88 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
89 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
90 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
91 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
92 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
93 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
94 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185
95 3 28.8.12(4)3 6 12 22 40 63 89 120 155 185

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)
Ia-3d (No. 230)
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)
2
RCSR identification (mofplus-deposit)
bpr
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 12 1 0 0 7 15 0 0 0 8 16 0 0 0 8 17 0 0 0 9 18 0 0 0 9 19 0 0 0 10 20 0 0 0 10 21 0 0 0 11 22 0 0 0 11 23 0 0 0 12 24 0 0 0 13 25 0 0 0 13 26 0 0 0 14 27 0 0 0 14 28 0 0 0 15 25 0 0 1 15 28 0 1 0 16 22 0 0 1 16 29 0 0 0 17 23 0 -1 1 17 30 0 0 0 18 24 1 -1 0 18 31 0 0 0 19 30 0 0 0 19 32 0 0 0 20 27 0 0 0 20 33 0 0 0 21 24 0 -1 1 21 34 0 0 0 22 35 0 0 0 23 36 0 0 0 25 37 0 0 0 26 36 0 0 0 26 38 0 0 0 27 39 0 0 0 28 40 0 0 0 29 38 -1 0 1 29 40 0 1 0 30 41 0 0 0 31 37 0 -1 1 31 39 1 0 0 32 35 1 0 0 32 42 0 0 0 33 37 -1 0 1 33 43 0 0 0 34 35 0 -1 1 34 41 -1 0 0 36 44 0 0 0 38 45 0 0 0 39 46 0 0 0 40 44 0 -1 0 41 47 0 0 0 42 45 0 0 0 42 46 1 0 0 43 45 -1 0 1 43 47 -1 0 0 44 48 0 0 0 46 48 0 -1 0 47 48 0 -1 1
Key against the archive (mofplus-deposit)
the same key, character for character
TD10 as Systre prints it (mofplus-deposit)
697
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)
697.0
Genus (mofplus-deposit)
25
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)
697.0
Genus (rcsr-archive-key)
25
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)
(8^2.12)
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, 478.8.12(4) 8.8.12(4) 8^2.12 3 6 12 22 40 66 89 118 155 186
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, 958.8.12(4) 8.8.12(4) 8^2.12 3 6 12 22 40 63 89 120 155 185

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

Net point symbol (rcsr-archive-key)
(8^2.12)
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, 4, 5, 6, 7, 8, 9, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 43, 44, 45, 468.8.12(4) 8.8.12(4) 8^2.12 3 6 12 22 40 63 89 120 155 185
1, 2, 3, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 34, 35, 36, 37, 38, 39, 40, 41, 42, 478.8.12(4) 8.8.12(4) 8^2.12 3 6 12 22 40 66 89 118 155 186

Cross-checks

Name against the computed key
corroborated-by-systre-key
Stored symbols against the computed ones
corroborated: 96 of 96 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones
corroborated: 96 of 96 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
bpr
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
209 (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
2105 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.