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Datasets:
zer0contextlost
/
crystal-lab-data
Like
0
Modalities:
Tabular
Text
Formats:
csv
Size:
1K - 10K
Tags:
materials-science
crystal-structure
dft
quantum-espresso
crystallm
mace
+ 1
Libraries:
Datasets
pandas
Polars
+ 1
License:
cc-by-4.0
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
crystal-lab-data
/
dft
/
1856
/
phonon
504 kB
Ctrl+K
Ctrl+K
1 contributor
History:
9 commits
zer0contextlost
data: 5751 structures, 9 DFT jobs
159613b
verified
7 days ago
d000
data: 5402 structures, 8 DFT jobs
12 days ago
d001
data: 5402 structures, 8 DFT jobs
12 days ago
d002
data: 5472 structures, 9 DFT jobs
11 days ago
d003
data: 5472 structures, 9 DFT jobs
11 days ago
d004
data: 5472 structures, 9 DFT jobs
11 days ago
d005
data: 5472 structures, 9 DFT jobs
11 days ago
d006
data: 5472 structures, 9 DFT jobs
11 days ago
d007
data: 5546 structures, 9 DFT jobs
10 days ago
d008
data: 5546 structures, 9 DFT jobs
10 days ago
d009
data: 5546 structures, 9 DFT jobs
10 days ago
d010
data: 5546 structures, 9 DFT jobs
10 days ago
d011
data: 5617 structures, 9 DFT jobs
9 days ago
d012
data: 5617 structures, 9 DFT jobs
9 days ago
d013
data: 5617 structures, 9 DFT jobs
9 days ago
d014
data: 5692 structures, 9 DFT jobs
8 days ago
d015
data: 5692 structures, 9 DFT jobs
8 days ago
d016
data: 5692 structures, 9 DFT jobs
8 days ago
d017
data: 5747 structures, 9 DFT jobs
7 days ago
d018
data: 5747 structures, 9 DFT jobs
7 days ago
d019
data: 5747 structures, 9 DFT jobs
7 days ago
d020
data: 5747 structures, 9 DFT jobs
7 days ago
relax
data: 5402 structures, 8 DFT jobs
12 days ago
band.conf
Safe
463 Bytes
data: 5751 structures, 9 DFT jobs
7 days ago
phonon.json
Safe
407 Bytes
data: 5747 structures, 9 DFT jobs
7 days ago
phonopy_params.yaml
Safe
70.2 kB
data: 5747 structures, 9 DFT jobs
7 days ago
tight.cif
Safe
2.23 kB
data: 5402 structures, 8 DFT jobs
12 days ago