What question did this study set out to answer?

The study aims to identify undiscovered spinels using machine learning techniques applied to chemical space.

April 18, 2026Open Access

Data-driven exploration of AB 2 X 4 (X = O, S, Se, Te) spinel chemical space

Key Points

The study aims to identify undiscovered spinels using machine learning techniques applied to chemical space.
Applied machine learning algorithms to analyze spinel crystal structures.
Surveyed known materials within the spinel category.
Explored potential undiscovered spinels based on structural data.
Identified multiple potential spinels that are not yet documented.
Revealed significant gaps in the known spinel chemical space.
Projected new areas for further material discovery.

Abstract

The crystal structure of the mineral spinel is adopted by hundreds of known materials. We use machine learning to explore how many spinels remain to be discovered.

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Authors

Panyalak Detrattanawichai

Zhenzhu Li

Hyunsoo Park

Journals

Digital Discovery

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Institutions

Imperial College London

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Building similarity graph...

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Data-driven exploration of AB 2 X 4 (X = O, S, Se, Te) spinel chemical space

Key Points

Abstract

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Discussion

Authors

Journals

Actions

Institutions

References and Citations

Citation Network

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