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usnistgov / jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY
https://pages.nist.gov/jarvis/
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Exfoliation energies in webpages #180

Open tavazza opened 3 years ago

tavazza commented 3 years ago

The JARVIS-DFT webpages do NOT show a value for exfoliation energy, even if it has been calculated (it is shown in the opening (home) page.

Example: in the search for Mo-S exfoliation energies values are listed for JVASP-54 and JVASP-228 (in the summary table for all Mo-S compounds) but the individual webpages (https://www.ctcms.nist.gov/~knc6/static/JARVIS-DFT/JVASP-228.xml, https://www.ctcms.nist.gov/~knc6/static/JARVIS-DFT/JVASP-54.xml) do not show a value for exfoliation energy.

Same problem for Mo-Se, W-Te etc.

knc6 commented 2 years ago

@tavazza Also, many 0 bulk modulus and IR data