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Net topology

pbz-b

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

JSON · mfpx

192 vertices and 288 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
Pn-3m (No. 224)
Cell lengths
a = 8.4853 Å, b = 8.4853 Å, c = 8.4853 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
192
Transitivity pqrs
1, 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
noneNo canonical key is recorded on this record from either source, and this field stays empty because it holds archive text and nothing else. A key was nonetheless computed here: Systre 19.6.0 was run on the MOF+ deposit, the graph of the uploaded topology file and derived one from the graph of the net itself. It is served under topology.symmetry, with the graph it was computed from and the version that computed it, rather than written into this field — a computed key is not the archive text, and serving it here would say the archive states something it does not.
Checksum
not recorded

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: 192 of 192 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. 192 of 192 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 Pn-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 3 26.8.83 6 11 18 29 44 61 80 103 132
1 3 26.8.83 6 11 18 29 44 61 80 103 132
2 3 26.8.83 6 11 18 29 44 61 80 103 132
3 3 26.8.83 6 11 18 29 44 61 80 103 132
4 3 26.8.83 6 11 18 29 44 61 80 103 132
5 3 26.8.83 6 11 18 29 44 61 80 103 132
6 3 26.8.83 6 11 18 29 44 61 80 103 132
7 3 26.8.83 6 11 18 29 44 61 80 103 132
8 3 26.8.83 6 11 18 29 44 61 80 103 132
9 3 26.8.83 6 11 18 29 44 61 80 103 132
10 3 26.8.83 6 11 18 29 44 61 80 103 132
11 3 26.8.83 6 11 18 29 44 61 80 103 132
12 3 26.8.83 6 11 18 29 44 61 80 103 132
13 3 26.8.83 6 11 18 29 44 61 80 103 132
14 3 26.8.83 6 11 18 29 44 61 80 103 132
15 3 26.8.83 6 11 18 29 44 61 80 103 132
16 3 26.8.83 6 11 18 29 44 61 80 103 132
17 3 26.8.83 6 11 18 29 44 61 80 103 132
18 3 26.8.83 6 11 18 29 44 61 80 103 132
19 3 26.8.83 6 11 18 29 44 61 80 103 132
20 3 26.8.83 6 11 18 29 44 61 80 103 132
21 3 26.8.83 6 11 18 29 44 61 80 103 132
22 3 26.8.83 6 11 18 29 44 61 80 103 132
23 3 26.8.83 6 11 18 29 44 61 80 103 132
24 3 26.8.83 6 11 18 29 44 61 80 103 132
25 3 26.8.83 6 11 18 29 44 61 80 103 132
26 3 26.8.83 6 11 18 29 44 61 80 103 132
27 3 26.8.83 6 11 18 29 44 61 80 103 132
28 3 26.8.83 6 11 18 29 44 61 80 103 132
29 3 26.8.83 6 11 18 29 44 61 80 103 132
30 3 26.8.83 6 11 18 29 44 61 80 103 132
31 3 26.8.83 6 11 18 29 44 61 80 103 132
32 3 26.8.83 6 11 18 29 44 61 80 103 132
33 3 26.8.83 6 11 18 29 44 61 80 103 132
34 3 26.8.83 6 11 18 29 44 61 80 103 132
35 3 26.8.83 6 11 18 29 44 61 80 103 132
36 3 26.8.83 6 11 18 29 44 61 80 103 132
37 3 26.8.83 6 11 18 29 44 61 80 103 132
38 3 26.8.83 6 11 18 29 44 61 80 103 132
39 3 26.8.83 6 11 18 29 44 61 80 103 132
40 3 26.8.83 6 11 18 29 44 61 80 103 132
41 3 26.8.83 6 11 18 29 44 61 80 103 132
42 3 26.8.83 6 11 18 29 44 61 80 103 132
43 3 26.8.83 6 11 18 29 44 61 80 103 132
44 3 26.8.83 6 11 18 29 44 61 80 103 132
45 3 26.8.83 6 11 18 29 44 61 80 103 132
46 3 26.8.83 6 11 18 29 44 61 80 103 132
47 3 26.8.83 6 11 18 29 44 61 80 103 132
48 3 26.8.83 6 11 18 29 44 61 80 103 132
49 3 26.8.83 6 11 18 29 44 61 80 103 132
50 3 26.8.83 6 11 18 29 44 61 80 103 132
51 3 26.8.83 6 11 18 29 44 61 80 103 132
52 3 26.8.83 6 11 18 29 44 61 80 103 132
53 3 26.8.83 6 11 18 29 44 61 80 103 132
54 3 26.8.83 6 11 18 29 44 61 80 103 132
55 3 26.8.83 6 11 18 29 44 61 80 103 132
56 3 26.8.83 6 11 18 29 44 61 80 103 132
57 3 26.8.83 6 11 18 29 44 61 80 103 132
58 3 26.8.83 6 11 18 29 44 61 80 103 132
59 3 26.8.83 6 11 18 29 44 61 80 103 132
60 3 26.8.83 6 11 18 29 44 61 80 103 132
61 3 26.8.83 6 11 18 29 44 61 80 103 132
62 3 26.8.83 6 11 18 29 44 61 80 103 132
63 3 26.8.83 6 11 18 29 44 61 80 103 132
64 3 26.8.83 6 11 18 29 44 61 80 103 132
65 3 26.8.83 6 11 18 29 44 61 80 103 132
66 3 26.8.83 6 11 18 29 44 61 80 103 132
67 3 26.8.83 6 11 18 29 44 61 80 103 132
68 3 26.8.83 6 11 18 29 44 61 80 103 132
69 3 26.8.83 6 11 18 29 44 61 80 103 132
70 3 26.8.83 6 11 18 29 44 61 80 103 132
71 3 26.8.83 6 11 18 29 44 61 80 103 132
72 3 26.8.83 6 11 18 29 44 61 80 103 132
73 3 26.8.83 6 11 18 29 44 61 80 103 132
74 3 26.8.83 6 11 18 29 44 61 80 103 132
75 3 26.8.83 6 11 18 29 44 61 80 103 132
76 3 26.8.83 6 11 18 29 44 61 80 103 132
77 3 26.8.83 6 11 18 29 44 61 80 103 132
78 3 26.8.83 6 11 18 29 44 61 80 103 132
79 3 26.8.83 6 11 18 29 44 61 80 103 132
80 3 26.8.83 6 11 18 29 44 61 80 103 132
81 3 26.8.83 6 11 18 29 44 61 80 103 132
82 3 26.8.83 6 11 18 29 44 61 80 103 132
83 3 26.8.83 6 11 18 29 44 61 80 103 132
84 3 26.8.83 6 11 18 29 44 61 80 103 132
85 3 26.8.83 6 11 18 29 44 61 80 103 132
86 3 26.8.83 6 11 18 29 44 61 80 103 132
87 3 26.8.83 6 11 18 29 44 61 80 103 132
88 3 26.8.83 6 11 18 29 44 61 80 103 132
89 3 26.8.83 6 11 18 29 44 61 80 103 132
90 3 26.8.83 6 11 18 29 44 61 80 103 132
91 3 26.8.83 6 11 18 29 44 61 80 103 132
92 3 26.8.83 6 11 18 29 44 61 80 103 132
93 3 26.8.83 6 11 18 29 44 61 80 103 132
94 3 26.8.83 6 11 18 29 44 61 80 103 132
95 3 26.8.83 6 11 18 29 44 61 80 103 132
96 3 26.8.83 6 11 18 29 44 61 80 103 132
97 3 26.8.83 6 11 18 29 44 61 80 103 132
98 3 26.8.83 6 11 18 29 44 61 80 103 132
99 3 26.8.83 6 11 18 29 44 61 80 103 132
100 3 26.8.83 6 11 18 29 44 61 80 103 132
101 3 26.8.83 6 11 18 29 44 61 80 103 132
102 3 26.8.83 6 11 18 29 44 61 80 103 132
103 3 26.8.83 6 11 18 29 44 61 80 103 132
104 3 26.8.83 6 11 18 29 44 61 80 103 132
105 3 26.8.83 6 11 18 29 44 61 80 103 132
106 3 26.8.83 6 11 18 29 44 61 80 103 132
107 3 26.8.83 6 11 18 29 44 61 80 103 132
108 3 26.8.83 6 11 18 29 44 61 80 103 132
109 3 26.8.83 6 11 18 29 44 61 80 103 132
110 3 26.8.83 6 11 18 29 44 61 80 103 132
111 3 26.8.83 6 11 18 29 44 61 80 103 132
112 3 26.8.83 6 11 18 29 44 61 80 103 132
113 3 26.8.83 6 11 18 29 44 61 80 103 132
114 3 26.8.83 6 11 18 29 44 61 80 103 132
115 3 26.8.83 6 11 18 29 44 61 80 103 132
116 3 26.8.83 6 11 18 29 44 61 80 103 132
117 3 26.8.83 6 11 18 29 44 61 80 103 132
118 3 26.8.83 6 11 18 29 44 61 80 103 132
119 3 26.8.83 6 11 18 29 44 61 80 103 132
120 3 26.8.83 6 11 18 29 44 61 80 103 132
121 3 26.8.83 6 11 18 29 44 61 80 103 132
122 3 26.8.83 6 11 18 29 44 61 80 103 132
123 3 26.8.83 6 11 18 29 44 61 80 103 132
124 3 26.8.83 6 11 18 29 44 61 80 103 132
125 3 26.8.83 6 11 18 29 44 61 80 103 132
126 3 26.8.83 6 11 18 29 44 61 80 103 132
127 3 26.8.83 6 11 18 29 44 61 80 103 132
128 3 26.8.83 6 11 18 29 44 61 80 103 132
129 3 26.8.83 6 11 18 29 44 61 80 103 132
130 3 26.8.83 6 11 18 29 44 61 80 103 132
131 3 26.8.83 6 11 18 29 44 61 80 103 132
132 3 26.8.83 6 11 18 29 44 61 80 103 132
133 3 26.8.83 6 11 18 29 44 61 80 103 132
134 3 26.8.83 6 11 18 29 44 61 80 103 132
135 3 26.8.83 6 11 18 29 44 61 80 103 132
136 3 26.8.83 6 11 18 29 44 61 80 103 132
137 3 26.8.83 6 11 18 29 44 61 80 103 132
138 3 26.8.83 6 11 18 29 44 61 80 103 132
139 3 26.8.83 6 11 18 29 44 61 80 103 132
140 3 26.8.83 6 11 18 29 44 61 80 103 132
141 3 26.8.83 6 11 18 29 44 61 80 103 132
142 3 26.8.83 6 11 18 29 44 61 80 103 132
143 3 26.8.83 6 11 18 29 44 61 80 103 132
144 3 26.8.83 6 11 18 29 44 61 80 103 132
145 3 26.8.83 6 11 18 29 44 61 80 103 132
146 3 26.8.83 6 11 18 29 44 61 80 103 132
147 3 26.8.83 6 11 18 29 44 61 80 103 132
148 3 26.8.83 6 11 18 29 44 61 80 103 132
149 3 26.8.83 6 11 18 29 44 61 80 103 132
150 3 26.8.83 6 11 18 29 44 61 80 103 132
151 3 26.8.83 6 11 18 29 44 61 80 103 132
152 3 26.8.83 6 11 18 29 44 61 80 103 132
153 3 26.8.83 6 11 18 29 44 61 80 103 132
154 3 26.8.83 6 11 18 29 44 61 80 103 132
155 3 26.8.83 6 11 18 29 44 61 80 103 132
156 3 26.8.83 6 11 18 29 44 61 80 103 132
157 3 26.8.83 6 11 18 29 44 61 80 103 132
158 3 26.8.83 6 11 18 29 44 61 80 103 132
159 3 26.8.83 6 11 18 29 44 61 80 103 132
160 3 26.8.83 6 11 18 29 44 61 80 103 132
161 3 26.8.83 6 11 18 29 44 61 80 103 132
162 3 26.8.83 6 11 18 29 44 61 80 103 132
163 3 26.8.83 6 11 18 29 44 61 80 103 132
164 3 26.8.83 6 11 18 29 44 61 80 103 132
165 3 26.8.83 6 11 18 29 44 61 80 103 132
166 3 26.8.83 6 11 18 29 44 61 80 103 132
167 3 26.8.83 6 11 18 29 44 61 80 103 132
168 3 26.8.83 6 11 18 29 44 61 80 103 132
169 3 26.8.83 6 11 18 29 44 61 80 103 132
170 3 26.8.83 6 11 18 29 44 61 80 103 132
171 3 26.8.83 6 11 18 29 44 61 80 103 132
172 3 26.8.83 6 11 18 29 44 61 80 103 132
173 3 26.8.83 6 11 18 29 44 61 80 103 132
174 3 26.8.83 6 11 18 29 44 61 80 103 132
175 3 26.8.83 6 11 18 29 44 61 80 103 132
176 3 26.8.83 6 11 18 29 44 61 80 103 132
177 3 26.8.83 6 11 18 29 44 61 80 103 132
178 3 26.8.83 6 11 18 29 44 61 80 103 132
179 3 26.8.83 6 11 18 29 44 61 80 103 132
180 3 26.8.83 6 11 18 29 44 61 80 103 132
181 3 26.8.83 6 11 18 29 44 61 80 103 132
182 3 26.8.83 6 11 18 29 44 61 80 103 132
183 3 26.8.83 6 11 18 29 44 61 80 103 132
184 3 26.8.83 6 11 18 29 44 61 80 103 132
185 3 26.8.83 6 11 18 29 44 61 80 103 132
186 3 26.8.83 6 11 18 29 44 61 80 103 132
187 3 26.8.83 6 11 18 29 44 61 80 103 132
188 3 26.8.83 6 11 18 29 44 61 80 103 132
189 3 26.8.83 6 11 18 29 44 61 80 103 132
190 3 26.8.83 6 11 18 29 44 61 80 103 132
191 3 26.8.83 6 11 18 29 44 61 80 103 132

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, 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

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)
Pn-3m (No. 224) (second origin choice)
Transitivity p, q (mofplus-deposit)
1, 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)
8
RCSR identification (mofplus-deposit)
pbz
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 18 0 0 0 10 21 0 0 0 11 16 1 0 0 11 22 0 0 0 12 17 1 0 0 12 19 0 1 0 13 20 0 0 1 13 22 0 0 0 14 15 0 -1 0 14 21 0 0 1 15 19 0 1 0 16 23 0 0 0 17 24 0 0 0 18 22 -1 0 -1 20 24 1 -1 0 21 23 0 -1 -1 23 24 0 0 1
Key against the archive (mofplus-deposit)
not compared This record carries no archive key, so the computed key has nothing to be compared with. This is not a disagreement, and for a net the archive does not list it is the expected state.
TD10 as Systre prints it (mofplus-deposit)
488
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)
488.0
Genus (mofplus-deposit)
13
Shells walked (mofplus-deposit)
10
Computed by (invariants, mofplus-deposit)
mofpp.invariants 2 — ok

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

Net point symbol (mofplus-deposit)
(6.8^2)
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, 47, 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, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 1916.8.8 6.8.8 6.8^2 3 6 11 18 29 44 61 80 103 132

Cross-checks

Name against the computed key
single-source
Stored symbols against the computed ones
corroborated: 192 of 192 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones
corroborated: 192 of 192 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
Systre built-in identification
Systre identifies this net as the RCSR net pbz (computed:systre-19.6.0 (mofplus-deposit)); this record is named pbz-b.

Provenance

Source
mofplus
Identifier at the source
pbz-b
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
none No RCSR index: the name pbz-b is not one of the 2930 symbols in the RCSR Systre archive of 2019-06-01, so this net has no position in that ordering and is listed after every net that does.
Complexity rank
2309 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.