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Datasets:
Mahpe
/
polyanion-sodium-cathode-dft
like
0
Modalities:
Image
Text
Formats:
imagefolder
Languages:
English
Size:
< 1K
Tags:
chemistry
materials-science
dft
batteries
sodium-ion
cathode
+ 3
Libraries:
Datasets
Croissant
License:
cc-by-nc-nd-4.0
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
polyanion-sodium-cathode-dft
/
polyanion_cathode_dataset
1.71 GB
2 contributors
History:
1 commit
martinhp27
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
78feb8b
about 1 month ago
Na2M2SO4_alluadite_multiple_optimization.xyz
3.07 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2M2SO4_alluadite_single_AIMD.xyz
124 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2M2SO4_alluadite_single_MD_sampling.xyz
14.3 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2M2SO4_alluadite_single_optimization.xyz
1.86 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2M2SO4_alluadite_single_total.xyz
140 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2MSiO4_silicate_multiple_optimization.xyz
13 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2MSiO4_silicate_single_AIMD.xyz
178 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2MSiO4_silicate_single_MD_sampling.xyz
14.6 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2MSiO4_silicate_single_optimization.xyz
1.3 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
Na2MSiO4_silicate_single_total.xyz
193 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_maricite_multiple_optimization.xyz
4.08 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_maricite_single_AIMD.xyz
227 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_maricite_single_MD_sampling.xyz
44.1 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_maricite_single_optimization.xyz
258 kB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_maricite_single_total.xyz
272 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_olivine_multiple_optimization.xyz
4.57 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_olivine_single_AIMD.xyz
178 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_olivine_single_MD_sampling.xyz
58.9 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_olivine_single_optimization.xyz
262 kB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
NaMPO4_olivine_single_total.xyz
238 MB
xet
Add polyanion sodium cathode DFT dataset (298,144 structures, Sci Data 2025)
about 1 month ago
