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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 /2571 /phonon
300 kB
Ctrl+K
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  • 1 contributor
History: 9 commits
zer0contextlost's picture
zer0contextlost
data: 5832 structures, 12 DFT jobs
e29344b verified 4 days ago
  • d000
    data: 5617 structures, 9 DFT jobs 9 days ago
  • d001
    data: 5692 structures, 9 DFT jobs 8 days ago
  • d002
    data: 5815 structures, 10 DFT jobs 6 days ago
  • d003
    data: 5815 structures, 10 DFT jobs 6 days ago
  • d004
    data: 5815 structures, 10 DFT jobs 6 days ago
  • d005
    data: 5823 structures, 10 DFT jobs 5 days ago
  • d006
    data: 5823 structures, 10 DFT jobs 5 days ago
  • d007
    data: 5823 structures, 10 DFT jobs 5 days ago
  • d008
    data: 5832 structures, 12 DFT jobs 4 days ago
  • d009
    data: 5832 structures, 12 DFT jobs 4 days ago
  • d010
    data: 5832 structures, 12 DFT jobs 4 days ago
  • relax
    data: 5617 structures, 9 DFT jobs 9 days ago
  • phonon.json
    408 Bytes
    data: 5832 structures, 12 DFT jobs 4 days ago
  • phonopy_params.yaml
    39.4 kB
    data: 5832 structures, 12 DFT jobs 4 days ago
  • plan.json
    22 Bytes
    data: 5751 structures, 9 DFT jobs 7 days ago
  • tight.cif
    1.31 kB
    data: 5617 structures, 9 DFT jobs 9 days ago