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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]


StructureREF
(Angstrom)
1CA23.555
2SiA25.422
3GeA25.644
4SiCB34.348
5BPB34.527
6BAsB34.764
7AlPB35.450
8AlAsB35.649
9AlSbB36.126
10GaNB43.179
115.160
12β-GaNB34.523
13GaPB35.441
14GaAsB35.641
15GaSbB36.086
16InNB43.527
175.679
18InPB35.858
19InAsB36.048
20InSbB36.473
21ZnOB43.223
225.194
23ZnSB35.399
24ZnSeB35.658
25ZnTeB36.079
26CdSB35.808
27CdSeB36.042
28CdTeB36.470
29MgSB35.612
30MgSeB15.375
31MgTeB36.410
32BaSB16.364
33BaSeB16.570
34BaTeB16.982

Subsets: