Point defects in two-dimensional (2D) oxides can simultaneously generate magnetic and polar responses, but the microscopic origin and periodic supercell effects remain elusive. Herein, we take ${\mathrm{ZrMo}}_2{\mathrm{O}}_8$ monolayer as a prototypical 2D oxide to investigate terminal oxygen vacancies via first-principles calculations to elucidate these puzzles. In this system, a neutral terminal oxygen vacancy forms a magnetopolar defect unit with a $2{\mu }_{\mathrm{B}}$ local moment, an out-of-plane dipole, and easy-axis anisotropy. The defect induces two in-gap states: a deep Mo-centered state hosting the magnetic core, and a shallower, bridge-active state extending toward ligands. For vacancy pairs, the supercell energy splitting $\mathrm{\Delta }E$ is governed by the retained Mo-O-Zr-O-Mo connectivity rather than nominal separation and becomes numerically unresolved only after all candidate pathways are removed within the tested supercell family. These results demonstrate that a single vacancy-driven reconstruction accounts for both magnetic and polar features, remains robust over the tested vacancy-concentration range, and highlights the critical role of connectivity in interpreting defect-pair interactions. This state-resolved and connectivity-aware framework provides microscopic insight for analyzing magnetopolar defects in low-dimensional oxides with material-specific vacancy chemistry.

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• Electronic structure
• Magnetic anisotropy
• Point defects
• Two-dimensional electron system
• Density functional theory