Predict total magnetic moment per unit cell (μB) and Ms / μ₀ Ms from a CIF. Use for ligand-bridged magnets — oxides, nitrides, and other M–X–M exchange systems where Goodenough–Kanamori–Anderson geometry matters. Prefer CHGNet (or similar) for elemental metals and alloys without bridging ligands.
Is supplement to
Sourav Mal & Satadeep Bhattacharjee · 2026
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