3D Structures

This page provides several structures in the form of xyz files. The xyz format is a standard for the computer visualization of 3D arrangements of atoms. Several computer programs allow one to display this kind of files, and to generate images and movies from them. In particular, the jmol program is especially friendly, and runs under java in most of the current operating systems. You can download individual xyz files and later open them with e.g. jmol. You may otherwise prefer to configure your browser/OS so that by default it opens .xyz files using your favorite .xyz viewer.

Here follow the available structures:

  1. bcccell.xyz
  2. bcccell+.xyz
  3. bcccrystal.xyz
  4. C10H8.xyz
  5. C2H2.xyz
  6. C2H4.xyz
  7. C2H6.xyz
  8. C3H8O.xyz
  9. C60.xyz
  10. C6H6.xyz
  11. cannonballs.xyz
  12. CH3CH2CH2OH.xyz
  13. CH3CH2OCH3.xyz
  14. CH3CH2OH.xyz
  15. CH3CHOHCH3.xyz
  16. CH3CN.xyz
  17. CH4.xyz
  18. CO2.xyz
  19. CsCl_basis.xyz
  20. CsCl+NH3.xyz
  21. CsCl.xyz
  22. diamond1cell.xyz
  23. diamondcell.xyz
  24. diamondcrystal.xyz
  25. dislocation_1layer.xyz
  26. dislocation.xyz
  27. fcc_big.xyz
  28. fcccell_stretched.xyz
  29. fcccell_WS.xyz
  30. fcccell.xyz
  31. fccClosePacking.xyz
  32. fcccrystal.xyz
  33. fcc_down_111.xyz
  34. fcc_grain_boundary.xyz
  35. fcc_slice_100.xyz
  36. fcc_stacking_fault.xyz
  37. graphene.xyz
  38. graphene1cell.xyz
  39. graphite.xyz
  40. graphite1cell.xyz
  41. H2O.xyz
  42. hcpcell_stretched.xyz
  43. hcpcell.xyz
  44. hcpClosePacking.xyz
  45. hcpcrystal.xyz
  46. NaCl_basis.xyz
  47. NaCl.xyz
  48. O2_hcp.xyz
  49. scccell.xyz
  50. sccrystal.xyz
jmol image of graphene flake

See here an example of a possible visualization snapshot of the graphene.xyz structure.

Several more molecular structures are available at this github site.

Notes:

created: 14 Nov 2014
last modified: 21 Apr 2020
by Nicola Manini