You are not logged in, therefore you can only see 100 materials. Registration is free and unlocks all 40948 materials: Register or Log in

100 results (register for free to see all 40948 materials)

ID (OMDB) ↑ ID (COD) ⇅ Formula ⇅ Space group H-M ⇅ Space group IT ⇅ Publication details Publisher ⇅
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
22475 2001686 C10 H16 N4 Se3 P 1 21 1 4 Structures of 2,3-diethyl-6,7-dihydro-5H-2a\l^4^-selena-2,3,4a,7a-tetraazacyclopent[cd]indene-1(2H),4(3H)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2a\l^4^,3-triselena-4a,6a-diazacyclopenta[cd]pentalene Acta Crystallographica Section C, 1993, vol: 49, page: 917
22620 2221205 C8 H5 Cl N2 P 1 21/n 1 14 2-Chloroquinoxaline Acta Crystallographica Section E, 2009, vol: 65, page: o455
22935 2230093 C15 H15 Hf P 63/m 176 Tris(\h^5^-cyclopentadienyl)hafnium(III) Acta Crystallographica Section E, 2011, vol: 67, page: m629
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
23883 2300303 C6 H6 N2 O2 P c a 21 29 The XIPHOS diffraction facility for extreme sample conditions Journal of Applied Crystallography, 2010, vol: 43, page: 1415
24042 4107189 C24 H24 I3 S16 P -1 2 Uniaxial Strain Orientation Dependence of Superconducting Transition Temperature (Tc) and Critical Superconducting Pressure (Pc) in \b-(BDA-TTP)2I3 Journal of the American Chemical Society, 2011, vol: 133, page: 19590
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
24447 2011802 C13 H14 O5 P 1 21 1 4 Three 1,6-anhydro-\b-D-glycopyranose derivatives Acta Crystallographica Section C, 2001, vol: 57, page: 298
24868 2014062 C12 H17 N S P 1 21 1 4 (R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N---H···S and C---H···\p(arene) hydrogen bonds Acta Crystallographica Section C, 2004, vol: 60, page: o346
24877 2202495 C13 H14 N4 O5 P -1 2 4-Dimethylaminopyridinium 2,4-dinitrophenolate: supramolecular aggregation through N---H···O, C---H···O, C---H···\p and \p--\p interactions Acta Crystallographica Section E, 2003, vol: 59, page: o1383
25475 7218268 C16 H12 O2 S9 P -1 2 A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors CrystEngComm, 2014, vol: 16, page: 10235
25517 8103379 C20 H17 N O P 1 21 1 4 Crystal structure of 2-((benzhydrylimino)methyl)phenol, C20H17NO Zeitschrift f\"ur Kristallographie - New Crystal Structures, 2012, vol: 227, page: 249
26247 7052726 C8 H8 N2 S2 P 1 21/c 1 14 Antiferromagnetic ordering in cobalt(ii) and nickel(ii) 1D coordination polymers with the dithioamide of 1,3-benzenedicarboxylic acid New Journal of Chemistry, 2011, vol: 35, page: 2179
26570 7111221 C8 H10 O2 S P 21 21 21 19 Enzyme-catalysed oxygenation and deoxygenation routes to chiral thiosulfinates Chemical Communications, 2002, page: 1452
26613 1508212 C26 H16 P -1 2 The synthesis, crystal structure and charge-transport properties of hexacene. Nature chemistry, 2012, vol: 4, page: 574
27297 2004277 C16 H21 N O4 P 1 21 1 4 Structural Investigation of Dihydrooxazinones Acta Crystallographica Section C, 1995, vol: 51, page: 2587
27373 4101841 C22 H20 O2 P 1 21 1 4 Nickel/Bis(oxazoline)-Catalyzed Asymmetric Kumada Reactions of Alkyl Electrophiles: Cross-Couplings of Racemic \a-Bromoketones Journal of the American Chemical Society, 2010, vol: 132, page: 1264
27388 2234180 C17 H20 N2 O3 P -1 2 4-Nitro-2-{[(tricyclo[3.3.1.1^3,7^]decan-1-yl)iminiumyl]methyl}phenolate Acta Crystallographica Section E, 2012, vol: 68, page: o1221
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:

diracmaterials@gmail.com