遇见数据集

Expt Formation Enthalpy Data

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Figshare2018-11-05 更新2026-04-29 收录
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Experimental formation enthalpies for inorganic compounds, collected from years of calorimetric experiments. There are 1,276 entries in this dataset, mostly binary compounds. Matching mpids or oqmdids as well as the DFT-computed formation energies are also added (if any).Data is available as Monty Encoder encoded JSON and as a CSV file. Recommended access method is with the matminer Python package using the datasets module.Note on citations: If you found this dataset useful and would like to cite it in your work, please be sure to cite its original sources below rather than or in addition to this page.Dataset discussed in:Kim, G. et al. Experimental formation enthalpies for intermetallic phases and other inorganic compounds. Sci. Data 4:170162 doi: 10.1038/sdata.2017.162 (2017).Dataset sourced and modified from:Kim, George; Meschel, Susan; Nash, Philip; Chen, Wei (2017): Experimental formation enthalpies for intermetallic phases and other inorganic compounds. figshare. Collection.

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2018-11-05
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