100 results (register for free to see all 40935 materials)
ID (OMDB) ⇅ | ID (COD) ⇅ | Formula ⇅ | Space group H-M ↑ | Space group IT ⇅ | Publication details | Publisher ⇅ |
---|---|---|---|---|---|---|
31863 | 2215924 | C8 H12 N2 O2 | P 1 21/c 1 | 14 | 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid | Acta Crystallographica Section E, 2007, vol: 63, page: o4209 |
32406 | 2222930 | C7 H10 N6 O3 | P 1 21/c 1 | 14 | N-(1-Diacetylamino-1H-tetrazol-5-yl)acetamide | Acta Crystallographica Section E, 2009, vol: 65, page: o1902 |
32702 | 2226811 | C11 H10 Cl N | P 1 21/c 1 | 14 | 4-Chloro-2,5-dimethylquinoline | Acta Crystallographica Section E, 2010, vol: 66, page: o2020 |
33101 | 2017198 | C11 H11 N3 O2 | P 1 21/c 1 | 14 | 4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate | Acta Crystallographica Section C, 2009, vol: 65, page: o361 |
36578 | 2016789 | C6 H18 Cl2 N2 | P 1 21/c 1 | 14 | Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine | Acta Crystallographica Section C, 2008, vol: 64, page: o537 |
22196 | 2222329 | C6 H7 N3 O2 | P 1 21/n 1 | 14 | 4-Methyl-3-nitropyridin-2-amine | Acta Crystallographica Section E, 2009, vol: 65, page: o1615 |
22620 | 2221205 | C8 H5 Cl N2 | P 1 21/n 1 | 14 | 2-Chloroquinoxaline | Acta Crystallographica Section E, 2009, vol: 65, page: o455 |
23663 | 2217577 | C8 H5 N3 O3 | P 1 21/n 1 | 14 | 7-Nitroquinazolin-4(3H)-one | Acta Crystallographica Section E, 2008, vol: 64, page: o427 |
24288 | 2240558 | C5 H10 Cl N3 | P 1 21/n 1 | 14 | Crystal structure of 2-(1H-imidazol-4-yl)ethanaminium chloride | Acta Crystallographica Section E, 2015, vol: 71, page: o301 |
27506 | 2202134 | C14 H28 Br2 | P 1 21/n 1 | 14 | 1,14-Dibromotetradecane | Acta Crystallographica Section E, 2003, vol: 59, page: o708 |

Is your relevant material missing?
- We can share our experience running high-throughput calculations based on density functional theory.
- Alternatively, our machine learning models trained on our large database can predict relevant material properties.
Feel free to contact us if you are interested in a partnership so that we can provide computationally relevant results.
Please email us at: