[Pw_forum] crystal structure and atomic coordinates of individual elements?

Mike Mehl Michael.Mehl at nrl.navy.mil
Thu Aug 12 17:49:13 CEST 2010

author =         {Jerry Donohue},
title =          {The Structures of the Elements},
publisher =      {John Wiley \& Sons},
year =   1974,
address =        {New York}}

He's a little out of date for some elements, e.g. Boron.

The American Mineralogist Crystal Structure Database is also helpful. 
There is even a structure for gamma-oxygen.


On 08/12/2010 08:43 AM, sonu kumar wrote:
> Dear all QE users,
> Can anybody provide me any help or link  etc, where i can find the
> crystal structure and wyckoff positions of individual elements like Ti,
> O, Rh etc.
> I shall be very thankful to you .

Michael J. Mehl
Head, Center for Computational Materials Science
Naval Research Laboratory Code 6390
Washington DC

More information about the users mailing list