publication string | equation string | reaction_energy float64 | miller_index list | sites string | other_structure list | other_structure_energy list | reactant_slab list | reactant_slab_energy list | product_slab list | product_slab_energy list | reactant_molecule list | reactant_molecule_energy list | product_molecule list | product_molecule_energy list | reactant_adslab list | reactant_adslab_energy list | product_adslab list | product_adslab_energy list | reactant_other list | reactant_other_energy list | product_other list | product_other_energy list |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.261257 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.495291 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -5.270158 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.894541 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.345113 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -5.184274 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.446291 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -1.157246 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -1.05831 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.557303 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.137084 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.140209 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.038858 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -3.090306 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.132409 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.371264 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -5.064852 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.8936 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.383762 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.855139 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.371956 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.252437 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -10.136912 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -10.884737 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -11.213202 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -8.735914 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -10.44254 | [
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CatalysisHub-MamunHighT2019 | H2(g) + 2* -> 2H* | -1.56982 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.471708 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.061088 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.079194 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -9.302006 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.01433 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.601626 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -3.300312 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.740035 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -2.709197 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.131714 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.261491 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.668542 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.599829 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.34062 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.272095 | [
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CatalysisHub-MamunHighT2019 | H2(g) + 2* -> 2H* | -0.785585 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.647101 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.877547 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -5.337012 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.991371 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -4.875375 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -5.249812 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -5.255599 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -11.17738 | [
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CatalysisHub-MamunHighT2019 | H2(g) + 2* -> 2H* | -1.431986 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 2.432064 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -10.722934 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -10.155422 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -10.111936 | [
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CatalysisHub-MamunHighT2019 | H2(g) + 2* -> 2H* | -1.500894 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -2.155593 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -2.205676 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.284672 | [
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Subsets and Splits
Select Equations Starting with N
Retrieves all rows from the train dataset where the equation starts with the letter 'N', providing basic filtering with limited analytical value.
Train Data with Nitrogen Molecules
The query retrieves records where the reactant molecule contains nitrogen, providing a basic filter on chemical formulas.
Select Equations Starting with N
Retrieves the first 100 equations starting with 'N', providing a basic sample of a specific subset of the data.