Identifying oriented spin space groups and related physical properties using an online platform FINDSPINGROUP

Abstract

Unconventional magnets combining antiferromagnetic structures with ferromagnetic-like responses are essential for the development of next-generation spintronics. Their emergent properties are fundamentally dictated by the interplay between exchange-driven magnetic geometry and spin-orbit coupling, described by spin space groups and magnetic space groups, respectively. However, the lack of direct correspondence between these frameworks hinders the systematic tracking of symmetry evolution of these intertwined physical contributions. Here we introduce FINDSPINGROUP, an online platform based on the oriented spin space group framework to unify spin space group and magnetic space group descriptions. By automating the tracking of symmetry-breaking pathways from the absence to the presence of spin-orbit coupling effects, FINDSPINGROUP enables the classification of magnetic phases and the derivation of symmetry-constrained tensors for phenomena such as momentum-dependent spin splitting and the anomalous Hall effect. By standardizing data exchange through the spin crystallographic information file, FINDSPINGROUP establishes a computational infrastructure for the high-throughput discovery and design of unconventional magnets.