Ni3Al bulk structure

 

Here, we show how to build  the unit cell of Ni3Al starting from the space group notation and save the structure  as a VASP input file (POSCAR).

1. Start tetr  and build a new structure from scratch  with the N command.

2. tetr opens a MAIN MENU for building the unit cell.

If you know already the lattice vectors and the atomic positions, the B option can be used.

4. with the Sp option we select the corresponding space group.

3. But we shall choose option  Pc to generate the primitive cell  from the space group informations.

5. Ni3Al crystallizes in a cubic system Oh_1. Type 221 to select the space group.

Sp will show you a list of  all possible space groups of symmetry

1    2     3       

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