| sg | nte | year | cod_id | formula | journal | n_temps |
|---|---|---|---|---|---|---|
| P 63/m | no | 1993 | 2001607 | S4V3 | Acta Crystallographica Section C | 3 |
| P m c n | no | 1995 | 2101322 | K2O4S | Acta Crystallographica, Section B: Structural Science | 5 |
| I 41/a :2 | no | 1997 | 2101656 | D4NO4Re | Acta Crystallographica Section B | 13 |
| P m -3 m | no | 2002 | 2103133 | B6Ce | Acta Crystallographica, Section B: Structural Science | 6 |
| P 1 21/n 1 | no | 2001 | 2103600 | KN3O4 | Acta Crystallographica Section B | 7 |
| F m -3 m | no | 1998 | 2105521 | Cl6K2Pt | Acta Crystallographica Section B | 8 |
| I m -3 | no | 1999 | 2002961 | Co1.256Fe2.744La0.743Sb12 | Acta Crystallographica Section B | 8 |
| P 1 21/c 1 | no | 2025 | 7250405 | B2Ca2O5 | CrystEngComm | 8 |
| P 3 2 1 | no | 2017 | 3000108 | Al2B2K2O7 | Crystals | 7 |
| R -3 c :H | no | 2000 | 2011058 | Cl6FeK3Na | Acta Crystallographica Section C | 3 |
| P 1 21/n 1 | no | 2000 | 2011086 | C6Cs2KMnN6 | Acta Crystallographica Section C | 3 |
| P 1 21/n 1 | no | 2000 | 7125468 | N4S4 | Chemical Communications | 4 |
Per-series Maxwell constraint-counting fingerprints joined to experimentally fitted volumetric thermal expansion, for all 159 H-free multi-temperature COD series (one CIF per series, lowest listed temperature). Columns: maxwell_f = (6n-2B)/6n with B = bond count from empirical covalent-radius cutoff (1.15x); two_coord_frac = fraction of 2-coordinated sites; framework_frac = largest bond-graph connected component / sites (<=0.9 = molecular crystal); significant_alpha = |alpha_v| > 2*se. Companion to the post "The Maxwell fingerprint, scaled to a census".
| Column | Range | Mean | Filled |
|---|---|---|---|
| cod_id | 159 distinct | — | 100% |
| formula | 145 distinct | — | 100% |
| sg | 61 distinct | — | 100% |
| n_temps | 3–38 | 6.585 | 100% |
| t_min_k | 1.5–1,123 | 160.7 | 100% |
| t_max_k | 100–2,773 | 444.3 | 100% |
| alpha_v_ppm_k | -131.6–471.7 | 50.39 | 100% |
| alpha_se_ppm_k | 0.14–149 | 13.01 | 100% |
| maxwell_f | -6.061–0.75 | -0.1093 | 100% |
| mean_coord | 1.5–42.36 | 6.656 | 100% |
| two_coord_frac | 0–1 | 0.1378 | 100% |
| framework_frac | 0.11–1 | 0.9248 | 100% |
| is_molecular | 2 distinct | — | 100% |
| significant_alpha | 2 distinct | — | 100% |
| nte | 2 distinct | — | 100% |
| journal | 35 distinct | — | 100% |
| year | 32 distinct |
| — |
| 100% |