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Datasets:
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crystal-lab-data

Modalities:
Tabular
Text
Formats:
csv
Size:
1K - 10K
Tags:
materials-science
crystal-structure
dft
quantum-espresso
crystallm
mace
Libraries:
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pandas
Polars
License:
Dataset card Data Studio Files
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1
crystal-lab-data / dft_results.csv

Commit History

Today

  1. data: 5907 structures, 14 DFT jobs (part 2)

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    ca84df5

4 days ago

  1. data: 5832 structures, 12 DFT jobs (part 2)

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    599c3da

6 days ago

  1. data: 5815 structures, 10 DFT jobs (part 2)

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    5d0855f

7 days ago

  1. data: 5747 structures, 9 DFT jobs (part 2)

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    982c176

9 days ago

  1. data: 5617 structures, 9 DFT jobs (part 2)

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    f10e207

10 days ago

  1. data: 5546 structures, 9 DFT jobs (part 2)

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    8d5fe80

11 days ago

  1. data: 5472 structures, 9 DFT jobs

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    a1e3215

12 days ago

  1. data: 5404 structures, 9 DFT jobs

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    66e6b34

  2. data: 5402 structures, 8 DFT jobs

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    c1d36db