The Possibility of New Complex Magnet Materials

Magnets are essential for mobile consumer electronics, electric motors that power industry and the future of transportation as well as generating and transforming most electric power. Strong magnets reduce the size and weight of motors and generators as well as improve efficiency. The most powerful <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics> <mml:mrow><mml:msub><mml:mi>Nd</mml:mi> <mml:mn>2</mml:mn></mml:msub> <mml:mi>Fe</mml:mi></mml:mrow> <mml:annotation>${\rm Nd}_2{\rm Fe}$</mml:annotation></mml:semantics> </mml:math> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics> <mml:mrow><mml:msub><mml:mrow></mml:mrow> <mml:mn>14</mml:mn></mml:msub> <mml:mi>B</mml:mi></mml:mrow> <mml:annotation>$_{14}{\rm B}$</mml:annotation></mml:semantics> </mml:math> -based magnets have a complex structure like millions that are expected to exist but have not been made and characterized. With the recent developments of AI materials discovery techniques, which enable data-driven and machine-learning-assisted screening, together with computational approaches that can accurately predict intrinsic magnetic properties of a given structure, and high-throughput autonomous labs, the discovery of new, ultra-powerful magnet materials with saturation magnetization greater than 2.5 Tesla or magnetic energy density ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics><mml:mrow><mml:mi>B</mml:mi> <mml:msub><mml:mi>H</mml:mi> <mml:mrow><mml:mi>m</mml:mi> <mml:mi>a</mml:mi> <mml:mi>x</mml:mi></mml:mrow> </mml:msub> </mml:mrow> <mml:annotation>$BH_{max}$</mml:annotation></mml:semantics> </mml:math> ) greater than 800 kJ/ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics><mml:msup><mml:mi>m</mml:mi> <mml:mn>3</mml:mn></mml:msup> <mml:annotation>${\rm m}^{3}$</mml:annotation></mml:semantics> </mml:math> is now quite possible.