[Wien] Fwd: Error in dstart

Shakeel Khandy shakeelkhandy11 at gmail.com
Sat Sep 3 07:59:58 CEST 2016


>
> Dear Sir,
>

please help me to genetae the exact structure. And explain that how can i
generate the structure of Mo2C with following experimental details
*Crystal structure   Hexagonal*
*Space group P63/mmc *
*Group No (194)*
*At Positions *
*2Mo in X    Y       Z*
*          1/3   2/3    1/4*
*          2/3   1/3     3/4*


*C in 1(c) in 2(a)    X   Y   Z*
*--                        0    0   0*
*                          0     0    1/2*

*a=b= 3.01234   *
*c=       4.74148*

With Regards
> Shakeel
>
>
>
>
>
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-- 

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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-- 
*"Dare to breach the surface and sink.”*
*Shakeel Ahmad Khandy*
Condensed Matter Theory Group,
School of Studies in Physics,
Jiwaji University, Gwalior, (M.P)
INDIA-474011
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