Flexible Materials Properties Management System as a Basis for Data-Centric Systems in Inorganic Materials Science

Efficient harvesting of research data with proper data management and data utilization is essential for scientific progress in materials science. On the one hand, the continuous production of huge amounts of data from measuring devices and the lack of industry standards for the data format for storage and processing necessitates the development of reliable information systems capable of organizing, analyzing, and using diverse materials data. This article focuses on the development of Internet-accessible data management systems for inorganic materials science, addressing typical domain requirements. These systems enable researchers to store diverse tabular data and different property types to support compatibility with wide a variety of research data. At the same time, typical data structures to address chemical systems, compositions, and their modifications are available out of the box together with a flexible graphical user interface inspired by the periodic table. The key emphasis is on data integrity, ensuring accurate tracking and preservation of materials data, and interoperability by providing data type templates and rich import/export capabilities. A case study with bandgap data highlights the system's effectiveness in materials properties storage, effective data modification, and fast user-friendly search to support data-driven decision-making. Considering the significance of a strong data infrastructure for flexible materials properties management we offer an open-source solution to facilitate and accelerate similar data-centric projects in inorganic materials science by encouraging you to deploy our solution in building your own customizable materials research infrastructure you could rely on.