MOF++

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Net topology

che

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

JSON · mfpx

152 vertices and 304 edges in the unit cell. 79 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 = 6.0566 Å, b = 6.0566 Å, c = 6.0566 Å
Cell angles
α = 90.00°, β = 90.00°, γ = 90.00°
Atoms in cell
152
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 1 5 0 0 0 2 6 0 0 0 2 7 0 0 0 2 8 0 0 0 3 9 0 0 0 3 10 0 0 0 3 11 0 0 0 4 12 0 0 0 4 13 0 0 0 4 14 0 0 0 5 15 0 0 0 5 16 0 0 0 5 17 0 0 0 6 18 0 0 0 6 19 0 0 0 6 20 0 0 0 7 21 0 0 0 7 22 0 0 0 7 23 0 0 0 8 24 0 0 0 8 25 0 0 0 8 26 0 0 0 9 19 0 0 0 9 27 0 0 0 9 28 0 0 0 10 20 0 0 0 10 29 0 0 0 10 30 0 0 0 11 31 0 0 0 11 32 0 0 0 11 33 0 0 0 12 25 1 0 0 12 28 0 0 0 12 34 0 0 0 13 22 0 0 0 13 35 0 0 0 13 36 0 0 0 14 32 0 0 0 14 37 0 0 0 14 38 0 0 0 15 23 0 0 0 15 36 0 0 0 15 39 0 0 0 16 26 0 0 0 16 30 0 0 0 16 40 0 0 0 17 33 0 0 0 17 38 0 0 0 17 41 0 0 0 18 42 0 0 0 18 43 0 0 0 18 44 0 0 0 19 45 0 0 0 19 46 0 0 0 20 47 0 0 0 20 48 0 0 0 21 43 0 0 0 21 49 0 0 0 21 50 0 0 0 22 46 0 0 0 22 51 0 0 0 23 52 0 0 0 23 53 0 0 0 24 44 0 0 0 24 50 0 0 0 24 54 0 0 0 25 48 0 0 0 25 55 0 0 0 26 53 0 0 0 26 56 0 0 0 27 51 0 1 0 27 57 0 0 0 27 58 0 0 0 28 59 0 0 0 28 60 0 0 0 29 51 0 1 0 29 52 0 1 0 29 61 0 0 0 30 55 0 0 0 30 62 0 0 0 31 42 0 0 1 31 58 0 0 0 31 61 0 0 0 32 43 0 0 1 32 60 0 0 0 33 44 0 0 1 33 62 0 0 0 34 46 0 0 0 34 54 1 0 0 34 63 0 0 0 35 54 1 0 0 35 56 1 0 0 35 58 0 -1 0 36 61 0 -1 0 36 64 0 0 0 37 55 1 0 0 37 56 1 0 0 37 65 0 0 0 38 49 0 0 1 38 64 0 0 0 39 45 -1 -1 1 39 59 -1 -1 1 39 63 -1 -1 1 40 45 -1 -1 1 40 47 -1 -1 1 40 57 -1 -1 1 41 50 0 0 1 41 57 -1 -1 1 41 59 -1 -1 1 42 66 0 0 0 42 67 0 0 0 43 68 0 0 0 44 69 0 0 0 45 66 0 0 0 46 68 0 0 0 47 67 0 0 0 47 70 0 0 0 48 69 0 0 0 48 71 0 0 0 49 70 0 -1 0 49 71 0 -1 0 50 72 0 0 0 51 70 0 -1 0 52 71 0 -1 0 52 73 0 0 0 53 66 -1 -1 1 53 72 0 0 0 54 74 0 0 0 55 73 0 1 0 56 67 -1 -1 1 57 74 1 1 0 58 72 1 1 0 59 71 1 0 0 60 72 1 1 0 60 73 1 1 0 61 75 0 0 0 62 74 0 0 1 62 75 0 0 0 63 69 1 0 0 63 75 1 0 -1 64 67 0 -1 1 64 69 0 -1 1 65 68 0 0 1 65 70 0 -1 1 65 74 1 0 1 66 76 0 0 0 68 76 0 0 0 73 76 -1 -1 1 75 76 -1 0 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
821bea10d0c08ed46c5ea519bc9bdbd8 (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: 152 of 152 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. 152 of 152 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 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
1 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
2 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
3 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
4 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
5 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
6 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
7 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
8 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
9 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
10 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
11 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
12 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
13 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
14 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
15 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
16 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
17 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
18 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
19 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
20 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
21 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
22 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
23 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
24 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
25 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
26 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
27 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
28 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
29 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
30 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
31 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
32 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
33 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
34 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
35 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
36 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
37 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
38 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
39 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
40 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
41 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
42 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
43 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
44 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
45 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
46 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
47 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
48 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
49 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
50 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
51 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
52 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
53 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
54 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
55 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
56 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
57 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
58 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
59 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
60 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
61 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
62 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
63 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
64 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
65 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
66 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
67 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
68 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
69 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
70 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
71 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
72 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
73 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
74 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
75 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
76 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
77 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
78 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
79 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
80 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
81 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
82 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
83 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
84 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
85 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
86 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
87 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
88 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
89 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
90 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
91 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
92 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
93 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
94 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
95 4 16.6(2).6(2).6(2).6(2).6(2)4 12 25 44 69 101 138 184 235 298
96 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
97 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
98 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
99 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
100 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
101 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
102 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
103 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
104 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
105 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
106 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
107 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
108 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
109 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
110 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
111 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
112 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
113 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
114 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
115 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
116 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
117 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
118 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
119 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
120 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
121 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
122 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
123 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
124 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
125 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
126 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
127 4 36(2).6(2).6(2).6(2).6(2).6(2)4 12 25 44 67 96 133 176 232 291
128 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
129 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
130 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
131 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
132 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
133 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
134 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
135 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
136 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
137 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
138 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
139 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
140 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
141 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
142 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
143 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
144 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
145 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
146 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
147 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
148 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
149 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
150 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294
151 4 -46(2).6(2).6(2).6(2).6(2).6(2)4 12 24 44 70 100 140 180 236 294

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)
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)
48
Repeat-unit factor (mofplus-deposit)
2
RCSR identification (mofplus-deposit)
che
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 2 6 0 0 0 2 7 0 0 0 2 8 0 0 0 3 9 0 0 0 3 10 0 0 0 3 11 0 0 0 4 12 0 0 0 4 13 0 0 0 4 14 0 0 0 5 15 0 0 0 5 16 0 0 0 5 17 0 0 0 6 18 0 0 0 6 19 0 0 0 6 20 0 0 0 7 21 0 0 0 7 22 0 0 0 7 23 0 0 0 8 24 0 0 0 8 25 0 0 0 8 26 0 0 0 9 19 0 0 0 9 27 0 0 0 9 28 0 0 0 10 20 0 0 0 10 29 0 0 0 10 30 0 0 0 11 31 0 0 0 11 32 0 0 0 11 33 0 0 0 12 25 1 0 0 12 28 0 0 0 12 34 0 0 0 13 22 0 0 0 13 35 0 0 0 13 36 0 0 0 14 32 0 0 0 14 37 0 0 0 14 38 0 0 0 15 23 0 0 0 15 36 0 0 0 15 39 0 0 0 16 26 0 0 0 16 30 0 0 0 16 40 0 0 0 17 33 0 0 0 17 38 0 0 0 17 41 0 0 0 18 42 0 0 0 18 43 0 0 0 18 44 0 0 0 19 45 0 0 0 19 46 0 0 0 20 47 0 0 0 20 48 0 0 0 21 43 0 0 0 21 49 0 0 0 21 50 0 0 0 22 46 0 0 0 22 51 0 0 0 23 52 0 0 0 23 53 0 0 0 24 44 0 0 0 24 50 0 0 0 24 54 0 0 0 25 48 0 0 0 25 55 0 0 0 26 53 0 0 0 26 56 0 0 0 27 51 0 1 0 27 57 0 0 0 27 58 0 0 0 28 59 0 0 0 28 60 0 0 0 29 51 0 1 0 29 52 0 1 0 29 61 0 0 0 30 55 0 0 0 30 62 0 0 0 31 42 0 0 1 31 58 0 0 0 31 61 0 0 0 32 43 0 0 1 32 60 0 0 0 33 44 0 0 1 33 62 0 0 0 34 46 0 0 0 34 54 1 0 0 34 63 0 0 0 35 54 1 0 0 35 56 1 0 0 35 58 0 -1 0 36 61 0 -1 0 36 64 0 0 0 37 55 1 0 0 37 56 1 0 0 37 65 0 0 0 38 49 0 0 1 38 64 0 0 0 39 45 -1 -1 1 39 59 -1 -1 1 39 63 -1 -1 1 40 45 -1 -1 1 40 47 -1 -1 1 40 57 -1 -1 1 41 50 0 0 1 41 57 -1 -1 1 41 59 -1 -1 1 42 66 0 0 0 42 67 0 0 0 43 68 0 0 0 44 69 0 0 0 45 66 0 0 0 46 68 0 0 0 47 67 0 0 0 47 70 0 0 0 48 69 0 0 0 48 71 0 0 0 49 70 0 -1 0 49 71 0 -1 0 50 72 0 0 0 51 70 0 -1 0 52 71 0 -1 0 52 73 0 0 0 53 66 -1 -1 1 53 72 0 0 0 54 74 0 0 0 55 73 0 1 0 56 67 -1 -1 1 57 74 1 1 0 58 72 1 1 0 59 71 1 0 0 60 72 1 1 0 60 73 1 1 0 61 75 0 0 0 62 74 0 0 1 62 75 0 0 0 63 69 1 0 0 63 75 1 0 -1 64 67 0 -1 1 64 69 0 -1 1 65 68 0 0 1 65 70 0 -1 1 65 74 1 0 1 66 76 0 0 0 68 76 0 0 0 73 76 -1 -1 1 75 76 -1 0 1
Key against the archive (mofplus-deposit)
the same key, character for character
TD10 as Systre prints it (mofplus-deposit)
1104
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)
1103.7368421052631
Genus (mofplus-deposit)
77
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)
1103.7368421052631
Genus (rcsr-archive-key)
77
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)
(6^6)
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, 956.6(2).6(2).6(2).6(2).6(2) 6.6(2).6(2).6(2).6(2).6(2) 6^6 4 12 25 44 69 101 138 184 235 298
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, 1276(2).6(2).6(2).6(2).6(2).6(2) 6(2).6(2).6(2).6(2).6(2).6(2) 6^6 4 12 25 44 67 96 133 176 232 291
128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 1516(2).6(2).6(2).6(2).6(2).6(2) 6(2).6(2).6(2).6(2).6(2).6(2) 6^6 4 12 24 44 70 100 140 180 236 294

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

Net point symbol (rcsr-archive-key)
(6^6)
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, 3, 7, 8, 9, 11, 14, 15, 16, 18, 19, 20, 21, 22, 24, 26, 29, 30, 31, 32, 34, 36, 37, 38, 39, 41, 42, 43, 45, 46, 49, 50, 51, 53, 55, 58, 59, 60, 63, 64, 65, 68, 70, 71, 73, 74, 756.6(2).6(2).6(2).6(2).6(2) 6.6(2).6(2).6(2).6(2).6(2) 6^6 4 12 25 44 69 101 138 184 235 298
2, 5, 10, 12, 17, 25, 33, 35, 40, 48, 52, 54, 56, 62, 69, 726(2).6(2).6(2).6(2).6(2).6(2) 6(2).6(2).6(2).6(2).6(2).6(2) 6^6 4 12 25 44 67 96 133 176 232 291
4, 6, 13, 23, 27, 28, 44, 47, 57, 61, 66, 676(2).6(2).6(2).6(2).6(2).6(2) 6(2).6(2).6(2).6(2).6(2).6(2) 6^6 4 12 24 44 70 100 140 180 236 294

Cross-checks

Name against the computed key
corroborated-by-systre-key
Stored symbols against the computed ones
corroborated: 152 of 152 vertex rows agree with mofpp.rings v2 (mofplus-deposit).
Stored sequences against the computed ones
corroborated: 152 of 152 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
che
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
331 (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
2291 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.