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zer0contextlost
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crystal-lab-data

Modalities:
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Formats:
csv
Size:
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Tags:
materials-science
crystal-structure
dft
quantum-espresso
crystallm
mace
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pandas
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License:
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crystal-lab-data / dft /42 /props
795 kB
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 History: 6 commits
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zer0contextlost
data: 5907 structures, 14 DFT jobs
546fccd verified