Phase Stability & Decomposition
Construct a convex hull from supplied phase energies and report decomposition.
Overview
Construct a convex hull from supplied phase energies and report decomposition. Two to 1000 supplied phases, at most four elements. Every energy must use the same compatible electronic-structure method, reference convention, and corrections. Missing competitors can produce false stability. Energy above hull is relative only to the supplied phase set. This is a zero-temperature energetic construction, without finite-temperature free energies, kinetics, or a bundled reference database.
Run Phase Stability & Decomposition on Neurosnap
The Phase Stability & Decomposition online webserver allows anybody with a Neurosnap account to run and access Phase Stability & Decomposition, 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
- Construct a convex hull from supplied phase energies and report decomposition.
- 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 Phase Stability & Decomposition 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 Phase Stability & Decomposition in publications or research outputs.
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https://doi.org/10.1016/j.commatsci.2012.10.028 |
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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/ |