Slab creator (tool to create slab structure online)

Upload file(Unit-cell，pw.x-input, POSCAR or cif):

miller index 

h: k: l:

nlayer: (integer) 

shiftz:  

 
vacuum(Å):  

 
n_pop:
 

Note behind:

 1. Upload unit-cell files for reasonable results.

2. The pw.x-input, POSCAR and cif formats are accepted.

3. The slab is set as c perpendicular to ab plane. The starting surface at the bottom is z = shiftz, and shiftz is in the fractional coordinates of the c axis of the final slab structure. The length of slab is the projection of vector (h,k,l)*nlayer in c direction. n_pop atoms are deleted on the top of the slab.

4. The area of the in-plane 2D cell of the slab model is the minimum of all choices. The hexagonal angle is taken as 120 degrees, other included angles are preferred to the acute angle closest to 90 degrees, and the length of the cell vectors satisfy a ≤ b.

5. The computation for hundreds of atoms are time-consuming, do not submit multiple tasks at the same time. 

 

 

 To use the tool check the following link:

 http://www.densityflow.com/en/slab.php