Ni3Al bulk structure
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