[Pw_forum] seeking transition metal oxide atomic positions and cell vectors
yrehem at mac.com
Tue Mar 11 20:49:52 CET 2008
Can anyone provide me with a the atomic positions and cell vectors for
an intercalated transition metal oxide, e.g. NaFe02, or LiCoO2, or
LiNiO2, or LiMnO4 ... you get the picture.
I've been unable to find any online. I could make my own, but the
structure is too large for me to relax in any reasonable time on my
little system if the coordinates are far from optimal.
Rehem Research & Consulting
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