cea
Ingested production record from rcsr. Per-field provenance in field_sources. No geometry: the RCSR archive carries none.
Crystallographic description
- Spacegroup
- Pmma (No. 51)
- Cell lengths
- a = 5.6506, b = 3.2326, c = 3.5736
- Cell angles
- α = 90.00°, β = 90.00°, γ = 90.00°
- This geometry is computed, not deposited. No contributor has uploaded a structure for this net: it came from the RCSR Systre archive, which carries a canonical key and no coordinates at all. What is drawn here is the net's maximum-symmetry embedding, computed from that key by Systre 19.6.0 and read into a cell, coordinates and edges by mofpp.embedding v1. Every edge is the same length and the cell is the ideal cell of the net's own symmetry group, scaled so that the mean edge is 1: it is a drawing of the net, an abstract periodic graph, and not a measurement of any material. The lengths in angstrom of a real framework built on this topology are not stated here and are not implied by it.
- Vertices in cell
- 32
- Transitivity pqrs
- 4, 12, *, *
- 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 RCSR archive key, the canonical key the archive states. 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
- (rcsr)The canonical Systre key, copied verbatim from the local RCSR Systre archive of 2019-06-01, and re-canonicalised here. Systre 19.6.0 was run on the RCSR archive key, the canonical key the archive states — on this very text, which is the only graph this record carries — and returned the same key, character for character. That is a check on the copy and not a second source: the input was the archive key itself, so the two statements are not independent, and what the run establishes is that the text is a well-formed canonical key which Systre reproduces unchanged. A deposited graph of this net would be the independent statement; this record holds none. 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.
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 7 0 0 0 3 9 0 0 0 3 10 0 0 0 4 8 0 0 0 4 9 0 0 0 4 11 0 0 0 5 10 1 0 0 5 12 0 0 0 5 13 0 0 0 6 14 0 0 0 6 15 0 0 0 6 16 0 0 0 7 16 -1 0 0 7 17 0 0 0 8 17 0 0 0 8 18 0 0 0 9 17 0 0 0 9 19 0 0 0 10 20 0 0 0 10 21 0 0 0 11 12 0 1 0 11 13 0 0 0 11 19 1 0 0 12 20 1 0 0 12 22 0 0 0 13 21 1 0 0 13 23 0 0 0 14 18 0 -1 0 14 24 0 0 0 14 25 0 0 0 15 18 0 0 0 15 26 0 0 0 15 27 0 0 0 16 25 0 0 0 16 27 0 0 0 17 28 0 0 0 18 28 1 0 0 19 20 0 1 0 19 21 0 0 0 20 29 0 0 0 21 30 0 0 0 22 23 0 -1 0 22 24 0 0 1 22 29 0 0 0 23 26 0 0 1 23 30 0 0 0 24 26 0 -1 0 24 31 0 0 0 25 28 1 -1 0 25 31 1 0 0 26 32 0 0 0 27 28 1 0 0 27 32 1 0 0 29 30 0 -1 0 29 31 0 0 1 30 32 0 0 1 31 32 0 -1 0 - Checksum
- 9e63e608b7034928f3b57365962f8b98 (rcsr)
Vertices
No coordination sequence is recorded for this net: the source stores none. Every sequence below is absent — which is a different fact from a sequence of length zero, and is why the field is null rather than an empty list.
Site symmetry. 32 of 32 vertex rows carry one, attributed to computed:mofpp.site_symmetry-v1 (spglib-2.7.0, rcsr-archive-key). 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 Pmma, setting the conventional one, by mofpp.site_symmetry v1 with spglib 2.7.0, from the embedding Systre 19.6.0 computed on the rcsr-archive-key. 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.
| # | Coordination | Site symmetry | Vertex symbol | Coordination sequence |
|---|---|---|---|---|
| 0 | 4 | 1 | — | — |
| 1 | 4 | 1 | — | — |
| 2 | 4 | 1 | — | — |
| 3 | 4 | 1 | — | — |
| 4 | 4 | 1 | — | — |
| 5 | 4 | 1 | — | — |
| 6 | 4 | 1 | — | — |
| 7 | 4 | 1 | — | — |
| 8 | 4 | 1 | — | — |
| 9 | 4 | 1 | — | — |
| 10 | 4 | 1 | — | — |
| 11 | 4 | 1 | — | — |
| 12 | 4 | 1 | — | — |
| 13 | 4 | 1 | — | — |
| 14 | 4 | 1 | — | — |
| 15 | 4 | 1 | — | — |
| 16 | 4 | 1 | — | — |
| 17 | 4 | 1 | — | — |
| 18 | 4 | 1 | — | — |
| 19 | 4 | 1 | — | — |
| 20 | 4 | 1 | — | — |
| 21 | 4 | 1 | — | — |
| 22 | 4 | 1 | — | — |
| 23 | 4 | 1 | — | — |
| 24 | 4 | 1 | — | — |
| 25 | 4 | 1 | — | — |
| 26 | 4 | 1 | — | — |
| 27 | 4 | 1 | — | — |
| 28 | 4 | 1 | — | — |
| 29 | 4 | 1 | — | — |
| 30 | 4 | 1 | — | — |
| 31 | 4 | 1 | — | — |
Computed topology
Computed here from the quotient graph of the net itself, not transcribed from either source: periodicity, symmetry, invariants and rings, on the RCSR archive key, the canonical key the archive states, by mofpp.embedding 19.6.0 sha256:0d272e98a1a21669bc67a809b95c014ba2a2fb39a6fd2147039201216ab0d48d options:--fullUnitCell wrapper:2 embedding:1, 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 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 RCSR archive key, the canonical key the archive states
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 (rcsr-archive-key)
- Pmma (No. 51)
- Transitivity p, q (rcsr-archive-key)
- 4, 12 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 (rcsr-archive-key)
- 8
- Repeat-unit factor (rcsr-archive-key)
- 1
- RCSR identification (rcsr-archive-key)
- cea
- Computed Systre key (rcsr-archive-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 7 0 0 0 3 9 0 0 0 3 10 0 0 0 4 8 0 0 0 4 9 0 0 0 4 11 0 0 0 5 10 1 0 0 5 12 0 0 0 5 13 0 0 0 6 14 0 0 0 6 15 0 0 0 6 16 0 0 0 7 16 -1 0 0 7 17 0 0 0 8 17 0 0 0 8 18 0 0 0 9 17 0 0 0 9 19 0 0 0 10 20 0 0 0 10 21 0 0 0 11 12 0 1 0 11 13 0 0 0 11 19 1 0 0 12 20 1 0 0 12 22 0 0 0 13 21 1 0 0 13 23 0 0 0 14 18 0 -1 0 14 24 0 0 0 14 25 0 0 0 15 18 0 0 0 15 26 0 0 0 15 27 0 0 0 16 25 0 0 0 16 27 0 0 0 17 28 0 0 0 18 28 1 0 0 19 20 0 1 0 19 21 0 0 0 20 29 0 0 0 21 30 0 0 0 22 23 0 -1 0 22 24 0 0 1 22 29 0 0 0 23 26 0 0 1 23 30 0 0 0 24 26 0 -1 0 24 31 0 0 0 25 28 1 -1 0 25 31 1 0 0 26 32 0 0 0 27 28 1 0 0 27 32 1 0 0 29 30 0 -1 0 29 31 0 0 1 30 32 0 0 1 31 32 0 -1 0- Key against the archive (rcsr-archive-key)
- the same key, character for character
- TD10 as Systre prints it (rcsr-archive-key)
- 807
- Computed by (symmetry, rcsr-archive-key)
- systre 19.6.0 sha256:0d272e98a1a21669bc67a809b95c014ba2a2fb39a6fd2147039201216ab0d48d options:--systreKey wrapper:2 — ok
Invariants — the RCSR archive key, the canonical key the archive states
- TD10, exact (rcsr-archive-key)
- 807.25
- Genus (rcsr-archive-key)
- 33
- Shells walked (rcsr-archive-key)
- 10
- Computed by (invariants, rcsr-archive-key)
- mofpp.invariants 2 — ok
Rings — the RCSR archive key, the canonical key the archive states
- Net point symbol (rcsr-archive-key)
- (4^2.5.6.7.8)(4^2.5^2.7.8)(4^3.5.7^2)2
- Longest ring searched (rcsr-archive-key)
- 40
- Computed by (rings, rcsr-archive-key)
- mofpp.rings 2 — ok
| Vertices | Cycle symbol (MOF+ convention) | RCSR ring symbol | Point symbol | Coordination sequence |
|---|---|---|---|---|
| 0, 1, 2, 6, 21, 23, 28, 30 | 4.4.4.5.7.7 | 4.4.4.5.8.8(2) | 4^3.5.7^2 | 4 9 18 33 53 77 103 131 168 211 |
| 3, 7, 8, 16, 22, 25, 29, 31 | 4.4.4.5.7.7 | 4.4.4.5.8.8(2) | 4^3.5.7^2 | 4 9 18 32 51 77 105 132 166 209 |
| 4, 5, 9, 11, 13, 15, 19, 24 | 4.4.5.6.7(2).8 | 4.4.5.8.8.10 | 4^2.5.6.7.8 | 4 10 21 36 52 74 105 137 169 208 |
| 10, 12, 14, 17, 18, 20, 26, 27 | 4.4.5.5.7(2).8(2) | 4.4.5.5.8.8 | 4^2.5^2.7.8 | 4 10 19 32 51 76 101 128 168 210 |
Cross-checks
- Name against the computed key
- single-source
Provenance
- Source
- rcsr
- Identifier at the source
- cea
- Retrieved
- not recorded
- Licence
- © 2019 RCSR.net — verified from © 2019 RCSR.net. Redistributed by MOF++ under a private agreement with the rights holder. This permits redistribution by MOF++; it grants the reader no onward licence. Confirmed by the repository owner, 2026-09-09..
- Published
- yes
Position in the collection
- RCSR index
- 274 (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
- 2482 The order the ingest processed this net in, simplest first. A different number from the RCSR index above, meaning a different thing.