We present a comprehensive first-principles study of the magnetoresistance in $\mathrm{ZrSi}X$ $(X= \mathrm{S}, \mathrm{Se}, \mathrm{Te})$ topological nodal-line semimetals. Our study demonstrates that all primary features of the experimentally measured magnetoresistance in these materials are captured by our calculations, including the unusual butterfly-shaped anisotropic magnetoresistance. This anisotropic magnetoresistance can be accurately reproduced using the semiclassical Boltzmann transport theory without introducing any information on the topological nature of bands or the concepts of topological phase transition. Considering the complex structure of the Fermi surface in these topological materials, we develop a theoretical description explaining the features observed in magnetoresistance measurements. Additionally, the atypical Hall resistance can be interpreted using the same semiclassical approach. Our findings establish magnetotransport as a powerful tool for analyzing the geometry of the Fermi surface, complementing angle-resolved photoemission spectroscopy and quantum oscillation measurements. This approach is demonstrated to be particularly useful for determining the role of nontrivial topology in transport properties.

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• Carrier dynamics
• Fermi surface
• First-principles calculations
• Hall effect
• Magnetoresistance
• Topological materials
• Topological phases of matter
• Transport phenomena
• Nodal-line semimetals
• Boltzmann theory
• Density functional calculations