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Datasets:
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crystal-lab-data

Modalities:
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Formats:
csv
Size:
1K - 10K
Tags:
materials-science
crystal-structure
dft
quantum-espresso
crystallm
mace
Libraries:
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pandas
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License:
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1
crystal-lab-data / dft /1856

Commit History

7 days ago

  1. data: 5751 structures, 9 DFT jobs

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    159613b

  2. data: 5747 structures, 9 DFT jobs

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    784bc07

  3. data: 5747 structures, 9 DFT jobs

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    df9cfe9

8 days ago

  1. data: 5692 structures, 9 DFT jobs

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    dea5af8

9 days ago

  1. data: 5617 structures, 9 DFT jobs

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    dd344e1

10 days ago

  1. data: 5546 structures, 9 DFT jobs

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    8af05d8

11 days ago

  1. data: 5472 structures, 9 DFT jobs

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    a1e3215

12 days ago

  1. data: 5405 structures, 9 DFT jobs

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    58d764b

  2. data: 5404 structures, 9 DFT jobs

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    66e6b34

  3. data: 5402 structures, 8 DFT jobs

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    c1d36db