Surface & Slab Builder
Generate periodic slab terminations for chosen Miller indices.
Overview
Generate periodic slab terminations for chosen Miller indices. At most 128 input atoms and 512 atoms per generated slab; up to 16 terminations. Slabs are centered, with vacuum along the surface normal. Terminations are symmetry filtered but not optimized or guaranteed nonpolar, stoichiometric, or stable. No surface energy is calculated.
Run Surface & Slab Builder on Neurosnap
The Surface & Slab Builder online webserver allows anybody with a Neurosnap account to run and access Surface & Slab Builder, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- Generate periodic slab terminations for chosen Miller indices.
- Scientific results with explicit units and interpretation limits.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access Surface & Slab Builder using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Citations
Please cite the original work when using Surface & Slab Builder in publications or research outputs.
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https://doi.org/10.1016/j.susc.2013.05.016 |
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https://github.com/materialsproject/pymatgen |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |