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* | -0.985096 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -3.207424 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.141327 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.604244 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.273631 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.344136 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.258987 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.105032 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.430065 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.041342 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.587634 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.542362 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.302365 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.083402 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.959919 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.231651 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.141545 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.277763 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.75416 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.391535 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.172988 | [
1,
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1
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.603667 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.210503 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.534109 | [
1,
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1
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.145728 | [
1,
0,
1
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.420514 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.801872 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.999082 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.806492 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.833076 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.193485 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.212053 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.24367 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.076391 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.138902 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.94638 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.009063 | [
1,
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.517838 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.443576 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.176535 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.158991 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.184995 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.157922 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.664745 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.975954 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.8744 | [
1,
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1
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.539371 | [
1,
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1
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.056022 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.533519 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.008422 | [
1,
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.080693 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.03543 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.823022 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.115692 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.626203 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.910452 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.889846 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.799044 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.226584 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.644497 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.905587 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.120299 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 1.999613 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.878867 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.126063 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.999504 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.810291 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.526437 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.912856 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.344905 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.533306 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.58813 | [
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CatalysisHub-MamunHighT2019 | H2O(g) + * -> H2O* | -0.078126 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 2.035971 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.247275 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 1.153537 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.825814 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.838458 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.252912 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.913591 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 1.182784 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.125286 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.594411 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.462215 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.338155 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 4.265287 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.355347 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.844867 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 3.112394 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.898611 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.429105 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.668522 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 1.939548 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.78915 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 3.206737 | [
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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.