| Manganese (Mn) | |
| Atomic Number | 25 |
| Atomic Weight | 54.9380 |
| Room Temperature Structure | alpha-Mn (A12) |
| Experimental Lattice Constant | 16.84 Bohr |
| Calculated Lattice Constant | 15.90 Bohr |
| Experimental Bulk Modulus | 60 GPa |
| Calculated Bulk Modulus | 320 GPa |
Note that Manganese is an anti-ferromagnet, but here we only provide parameters for the paramagnetic case:
The tight-binding parameters were fit to first-principles spin restricted (spin up density = spin down on each atom) Augmented Plane Wave (APW) results over the following ranges:
| Structure | Minimum Range Lattice Constant (Bohr) | Maximum Range Lattice Constant (Bohr) |
| fcc (A1) | 6.24 | 6.74 |
| bcc (A2) | 4.90 | 5.40 |
| Reference | Phys. Rev. B 54, 4519-30 (1996) | |
Use of the parameters outside of these ranges may result in unphysical behavior.