The northeast materials database for magnetic materials

The discovery of magnetic materials with high operating temperature ranges and optimized performance is essential for advanced applications. Current data-driven approaches are limited by the lack of accurate, comprehensive, and feature-rich databases. This study aims to address this challenge by using Large Language Models (LLMs) to create a comprehensive, experiment-based, magnetic materials database named the Northeast Materials Database (NEMAD), which consists of 67,573 magnetic materials entries ( www.nemad.org ). The database incorporates chemical composition, magnetic phase transition temperatures, structural details, and magnetic properties. Enabled by NEMAD, we trained machine learning models to classify materials and predict transition temperatures. Our classification model achieved an accuracy of 90% in categorizing materials as ferromagnetic (FM), antiferromagnetic (AFM), and non-magnetic (NM). The regression models predict Curie (Néel) temperature with a coefficient of determination (R<sup>2</sup>) of 0.87 (0.83) and a mean absolute error (MAE) of 56K (38K). These models identified 25 (13) FM (AFM) candidates with a predicted Curie (Néel) temperature above 500K (100K) from the Materials Project. This work shows the feasibility of combining LLMs for automated data extraction and machine learning models to accelerate the discovery of magnetic materials.

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Publication Details

Journal
Nature Communications
Published
2025-10-24
DOI
https://doi.org/10.1038/s41467-025-64458-z
Citations
3
Primary Topic
Magnetic and transport properties of perovskites and related materials
Type
article
Field-Weighted Citation Impact
1.28

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article

The northeast materials database for magnetic materials

Jiadong Zang, Suman Itani, Yibo Zhang
3 citations
Nature Communications
Magnetic and transport properties of perovskites and related materials
1.28
article

The northeast materials database for magnetic materials

Jiadong Zang, Suman Itani, Yibo Zhang
article en
3 citations

Abstract

The discovery of magnetic materials with high operating temperature ranges and optimized performance is essential for advanced applications. Current data-driven approaches are limited by the lack of accurate, comprehensive, and feature-rich databases. This study aims to address this challenge by using Large Language Models (LLMs) to create a comprehensive, experiment-based, magnetic materials database named the Northeast Materials Database (NEMAD), which consists of 67,573 magnetic materials entries ( www.nemad.org ). The database incorporates chemical composition, magnetic phase transition temperatures, structural details, and magnetic properties. Enabled by NEMAD, we trained machine learning models to classify materials and predict transition temperatures. Our classification model achieved an accuracy of 90% in categorizing materials as ferromagnetic (FM), antiferromagnetic (AFM), and non-magnetic (NM). The regression models predict Curie (Néel) temperature with a coefficient of determination (R<sup>2</sup>) of 0.87 (0.83) and a mean absolute error (MAE) of 56K (38K). These models identified 25 (13) FM (AFM) candidates with a predicted Curie (Néel) temperature above 500K (100K) from the Materials Project. This work shows the feasibility of combining LLMs for automated data extraction and machine learning models to accelerate the discovery of magnetic materials.

Nature CommunicationsVol. 16(1)
University of New Hampshire (US)
U.S. Department of Energy, Basic Energy Sciences, Division of Materials Sciences and Engineering
Openalex Percentile: Top 18%
Magnetic and transport properties of perovskites and related materials
1.28
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The northeast materials database for magnetic materials — Jiadong Zang, Suman Itani, et al. · Nature Communications (2025) | TGRS Research Map | TGRS