| Molybdenum (Mo) | |
| Atomic Number | 42 |
| Atomic Weight | 95.94 |
| Room Temperature Structure | bcc (A2) |
| Experimental Lattice Constant | 5.95 Bohr |
| Calculated Lattice Constant | 5.90 Bohr |
| Experimental Bulk Modulus | 272 GPa |
| Calculated Bulk Modulus | 283 GPa |
The tight-binding parameters were fit to first-principles Augmented Plane Wave (APW) results over the following ranges:
| Structure | Minimum Range Lattice Constant (Bohr) | Maximum Range Lattice Constant (Bohr) |
| fcc (A1) | 7.20 | 7.80 |
| bcc (A2) | 5.70 | 6.10 |
| Reference | Phys. Rev. B 54, 4519-30 (1996) | |
Use of the parameters outside of these ranges may result in unphysical behavior.