#IBM AIM 2016 Project Data

Repository of structures for the AIM 2016 project.

##File structure:

The structures are provided as .xyz and .cif files. In the xyz files, the lattice parameters are provided in the title line as follow:

Atom count
a b c alpha beta gamma
El  x  y  z
...

##Ionic radii:

The radii for the ions can be found following the link:

http://abulafia.mt.ic.ac.uk/shannon/ptable.php

Choose an element and select the correct ionic radii based on the coordinations and charges.