Ice Ih Other Ice Polymorphs

Data bank on ice and icy particles




Ice Partcles

Lowest energy structures obtained with TIP4P potential, see references below for description.
Download in .xyz format, in angstorm.



References:

1.Kazimirski and Buch,
   Search for Low Energy Structures of Water Clusters(H2O)n,
    n=20-22,48,123,and 293. J.Phys. Chem, A 2003, 103,4933

    Download article in pdf


2. Buch, Baurecker, Devlin, Buck and Kazimirski,
   Solid water clusters in the size range of tens~thousands of H2O:
   a combined computational / spectroscopic outlook
   International Reviews of Physical Chemistry 2004, 23, 375.

    Download Review.pdf


22 molecule structure

Download 22 molecules xyz data file

48 molecule structure

Download 48 molecule xyz data file

123 molecules structure

Download 123 molecule xyz data file

931 molecules structure

Download 931 molecule xyz data file