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* | -0.500618 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.65369 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.501668 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.018885 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.31579 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.125198 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.90607 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.14262 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.461837 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.542145 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.118723 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.53319 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.88246 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.393599 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.509728 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.626118 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.764988 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.186181 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.861731 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.879603 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.214189 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.221973 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.829238 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.685648 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.218134 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.357382 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.074055 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.393893 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.486278 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.20595 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.856664 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.934183 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.927676 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.40012 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.403736 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -0.041897 | [
1,
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1
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.412194 | [
1,
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1
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.2152 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.885834 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.872013 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.160514 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.357045 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.229403 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.577621 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.842971 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.819187 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.481884 | [
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CatalysisHub-MamunHighT2019 | N2(g) + 2* -> 2N* | -5.50684 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.392056 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.70067 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -10.528282 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.618918 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 1.034758 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.490351 | [
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CatalysisHub-MamunHighT2019 | H2(g) + 2* -> 2H* | -1.384724 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.548284 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.04827 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.856706 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.839093 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.931893 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.926552 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.355071 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.883668 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.998848 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.045373 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.814311 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.101162 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.838408 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.993838 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.303235 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.596738 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.097979 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.323295 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.545337 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.184624 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.209002 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.13323 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.343828 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 0.098069 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.952209 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -2.149978 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.368557 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.003141 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.911982 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.656967 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -0.190483 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.753349 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.938827 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.964907 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 0.040468 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.282336 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | -1.37858 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -11.022432 | [
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CatalysisHub-MamunHighT2019 | O2(g) + 2* -> 2O* | -10.891337 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.99194 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | -0.133192 | [
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CatalysisHub-MamunHighT2019 | 0.5H2(g) + * -> H* | 1.344622 | [
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CatalysisHub-MamunHighT2019 | 0.5N2(g) + * -> N* | 5.20922 | [
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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.