Table 2 The six ab initio melting points of orthorhombic Pnma-Nb, (Pm, Tm), obtained from the Z method implemented with VASP.
Lattice constant (Å) | Density (g cm−3) | Pm (GPa) | Tm (K) |
---|---|---|---|
5.4270 | 8.143 | 6.5 | 2970 |
5.1155 | 9.723 | 40.1 | 3890 |
4.9290 | 10.87 | 76.4 | 4550 |
4.7675 | 12.01 | 125 | 5240 |
4.6390 | 13.04 | 180 | 5850 |
4.5260 | 14.04 | 245 | 6430 |