Is the value given in materialsproject org

Materials Project
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dear all,
Is the value given in materialsproject org the experimental value or theoretical one.
bulk modulus of ysn3 62gpa

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1824×425 43.3 KB

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Hi @singh_surinder,

All of the values shown in your screenshot are theoretical, as is most of the data on Materials Project. If you look up the paper shown in the screenshot, it has more information on how the values are calculated.

Best,

Matt

1 Like
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dear matt,
could you please tell me where from, i can get experimental value bulk modulus of YSn3.

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I would recommend a literature search. It looks like there are a few theoretical calculations of the bulk modulus, but it’s entirely possible that no one has measured it experimentally yet.

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in literature i found a paper have given computational value and have given no experimental value…

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Hi Singh,

Our database is primarily computed properties. Our elastic properties are all computed by our own methods documented in that paper by de Jong et al. We don’t have any experimental bulk moduli to distribute. You’ll have to either measure it yourself or find a paper with an experimentally measured bulk modulus.

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dear shyam sir,
I could not find experimental value of bulk modulus in papers and the theoretical value in SWETAREKHA RAM et al. paper are significantly different from that reported in materialsproject.org

materialsproject.org bulk modulus of ysn3 is 62gpa
SWETAREKHA RAM et al 56.9(GGA) and 70.6(LDA)

THERE IS LOT OF CONFLICT WITH THE ACTUAL VALUE.

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The three values you quoted (62, 56.9, 70.6 GPa) are all within about 10-20% of each other, which is actually very similar for a bulk modulus. Experimental measurements will often differ by 10-20%.

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thank you for the useful discussion