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SLC34
Semiconductor Lattice Constants
The data of this database are calculated at the optimized geometry for each method.
The input files are available to download below:
>> g09 inputs <<
For published work employing this database, please cite at least one of these articles:
Peverati, R.; Truhlar, D. G. J. Chem. Phys. 2012, 136, 134704.
and/or
Peverati, R.; Truhlar, D. G. Phil. Trans. Royal Soc. A 2012, Submitted.
The submitted version of this article is available as a pre-print online following the link below, and can be cited using the arXiv citation format:
Peverati, R.; Truhlar, D. G. arXiv:1212.0944 [physics.chem-ph]
| | Structure | REF |
| | | (Angstrom) |
| 1 | C | A2 | 3.555 |
| 2 | Si | A2 | 5.422 |
| 3 | Ge | A2 | 5.644 |
| 4 | SiC | B3 | 4.348 |
| 5 | BP | B3 | 4.527 |
| 6 | BAs | B3 | 4.764 |
| 7 | AlP | B3 | 5.450 |
| 8 | AlAs | B3 | 5.649 |
| 9 | AlSb | B3 | 6.126 |
| 10 | GaN | B4 | 3.179 |
| 11 | | | 5.160 |
| 12 | β-GaN | B3 | 4.523 |
| 13 | GaP | B3 | 5.441 |
| 14 | GaAs | B3 | 5.641 |
| 15 | GaSb | B3 | 6.086 |
| 16 | InN | B4 | 3.527 |
| 17 | | | 5.679 |
| 18 | InP | B3 | 5.858 |
| 19 | InAs | B3 | 6.048 |
| 20 | InSb | B3 | 6.473 |
| 21 | ZnO | B4 | 3.223 |
| 22 | | | 5.194 |
| 23 | ZnS | B3 | 5.399 |
| 24 | ZnSe | B3 | 5.658 |
| 25 | ZnTe | B3 | 6.079 |
| 26 | CdS | B3 | 5.808 |
| 27 | CdSe | B3 | 6.042 |
| 28 | CdTe | B3 | 6.470 |
| 29 | MgS | B3 | 5.612 |
| 30 | MgSe | B1 | 5.375 |
| 31 | MgTe | B3 | 6.410 |
| 32 | BaS | B1 | 6.364 |
| 33 | BaSe | B1 | 6.570 |
| 34 | BaTe | B1 | 6.982 |
Subsets: