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 ⇅
30556 2009647 C13 H9 F O2 P 21 21 21 Phenyl 3-fluorobenzoate Acta Crystallographica Section C, 1994, vol: 50, page: 592
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
26613 1508212 C26 H16 P -1 2 The synthesis, crystal structure and charge-transport properties of hexacene. Nature chemistry, 2012, vol: 4, page: 574
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
21673 7218924 C12 H13 N O4 P -1 2 Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses CrystEngComm, 2015, vol: 17, page: 904
21386 7150798 C24 H37 N O2 P -1 2 A general stereoselective method for the synthesis of cyclopropanecarboxylates. A new version of the homologous Horner--Wadsworth--Emmons reaction Organic & Biomolecular Chemistry, 2008, vol: 6, page: 308
21246 7039954 C5 H14 Cl2 N6 P -1 2 The first organocopper tetrazole derivative: synthesis and characterization. Dalton transactions (Cambridge, England : 2003), 2016, vol: 45, page: 13406
19941 2215126 C13 H14 O S P -1 2 3-Butyl-1H-isochromene-1-thione Acta Crystallographica Section E, 2007, vol: 63, page: o3708
16868 4302625 C9 H6 O8 Pb2 P -1 2 Synthesis, Structure, and Luminescent Properties of Hybrid Inorganic-Organic Framework Materials Formed by Lead Aromatic Carboxylates: Inorganic Connectivity Variation from 0D to 3D Inorganic Chemistry, 2009, vol: 48, page: 6517
18923 7224993 C16 H10 N6 S4 P -1 2 A sulfur-rich \p-electron acceptor derived from 5,5′-bithiazolidinylidene: charge-transfer complex vs. charge-transfer salt CrystEngComm, 2016, vol: 18, page: 3925

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