23-Single-Element-DNPs Family
24 datasets | 194K total configurations
Overview
Datasets
24
Total Downloads
1,936
Total Configurations
194K
Unique Elements
23
Property Types
3
Methods Used
1
Elements Included
23 Elements
Calculated Properties
3 Property Types
Methods
1 Methods
Software
2 Software
Member Datasets
24 Datasets
| Dataset Name | Downloads | Configurations | Elements | Properties | Links | |
|---|---|---|---|---|---|---|
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23-Single-Element-DNPs_all_trajectories
The full trajectories from the VASP runs used to generate the 23-Single-Element-DNPs training sets. Configuration sets a...
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84 | 108,644 | 23 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Ag
Configurations of Ag from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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132 | 3,654 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Al
Configurations of Al from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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179 | 2,537 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Au
Configurations of Au from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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106 | 3,585 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Co
Configurations of Co from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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80 | 3,337 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Cu
Configurations of Cu from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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102 | 3,355 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Ge
Configurations of Ge from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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35 | 2,810 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-I
Configurations of I from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for ind...
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48 | 4,436 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Kr
Configurations of Kr from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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36 | 2,875 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Li
Configurations of Li from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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34 | 2,531 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Mg
Configurations of Mg from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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108 | 2,938 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Mo
Configurations of Mo from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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107 | 3,663 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Nb
Configurations of Nb from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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40 | 3,114 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Ni
Configurations of Ni from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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110 | 3,778 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Os
Configurations of Os from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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35 | 4,624 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Pb
Configurations of Pb from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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101 | 5,254 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Pd
Configurations of Pd from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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109 | 3,413 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Pt
Configurations of Pt from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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101 | 2,605 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Re
Configurations of Re from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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63 | 5,011 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Sb
Configurations of Sb from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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48 | 5,107 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Sr
Configurations of Sr from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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37 | 3,037 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Ti
Configurations of Ti from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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98 | 5,436 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Zn
Configurations of Zn from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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34 | 3,852 | 1 | 3 | View DOI | |
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23-Single-Element-DNPs_RSCDD_2023-Zr
Configurations of Zr from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for in...
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109 | 4,637 | 1 | 3 | View DOI |