FePTP: A text-mined dataset of transformation pathways among iron-containing phases

Abstract

Iron, the most abundant element on Earth by mass (34.6%), primarily exists as iron minerals due to its inherent reactivity. The study of iron mineral phase transformations under changing environmental conditions remains an important research focus due to its geological, environmental, and industrial significance. Yet, the complexity of the system prevents the development of a universal principle to interpret phase transformation behaviors across diverse environmental conditions. An alternative approach is to employ data-driven methods to obtain approximate predictive results. Nevertheless, the data concerning iron-containing phase transformations remain fragmented due to a lack of standardized integration, hindering the advancement of related research. To address this gap, we have developed an automated pipeline that extracts and curates iron-containing phase transformation pathways, creating the first text-mined dataset of 11,241 pathways. Each record includes the precursor/product phases, reaction category, procedures, and associated parameters, as well as the extent of transformation and reaction equations, providing a comprehensive foundation for advancing data-driven research.

Affiliated Institutions

• Central South University CN
• South China University of Technology CN
• Chinese National Engineering Research Center for Control and Treatment of Heavy Metal Pollution CN

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