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Datasets:
zer0contextlost
/
crystal-lab-data

Modalities:
Tabular
Text
Formats:
csv
Size:
1K - 10K
Tags:
materials-science
crystal-structure
dft
quantum-espresso
crystallm
mace
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
crystal-lab-data / dft /3897 /props /electronic
16.8 kB
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  • 1 contributor
History: 1 commit
zer0contextlost's picture
zer0contextlost
data: 5907 structures, 14 DFT jobs
546fccd verified about 6 hours ago
  • dos.in
    136 Bytes
    data: 5907 structures, 14 DFT jobs about 6 hours ago
  • dos.out.gz
    881 Bytes
    xet
    data: 5907 structures, 14 DFT jobs about 6 hours ago
  • electronic.json
    267 Bytes
    data: 5907 structures, 14 DFT jobs about 6 hours ago
  • nscf.in
    1.37 kB
    data: 5907 structures, 14 DFT jobs about 6 hours ago
  • nscf.out.gz
    3.25 kB
    xet
    data: 5907 structures, 14 DFT jobs about 6 hours ago
  • scf.in
    1.38 kB
    data: 5907 structures, 14 DFT jobs about 6 hours ago
  • scf.out.gz
    9.55 kB
    xet
    data: 5907 structures, 14 DFT jobs about 6 hours ago