The CubicGAN model generated 183 mechanically and dynamically stable ternary cubic materials. However, only 141 compositions contain transition metal elements. Our DNN predicts that 45 of them are magnetic materials (See Supporting Information). Nevertheless, only four comply with all thermodynamic, dynamical, and mechanical stability criteria. Those materials are BaCuF 6 , Na 6 TcO 6 , K 6 TcO 6 and Rb 6 IrO 6 . Thus, three of them have the common chemical formula type, i.e., A 6 MO 6 . To find the magnetic ground state structure of the materials, We performed DFT-based structure optimization for ferromagnetic (FM), anti-ferromagnetic (AFM), and non-magnetic (NM) states. As shown in Fig. , we considered five AFM configurations, where AFM1, AFM2, and AFM3 are collinear configurations, and AFM4 and AFM5 are non-collinear configurations. Those collinear AFM configurations were considered for FCC structures by previous research works . Figure shows only the M atoms, as it allows us to show the directions of the spins conveniently. The atoms with spin-up and spin-down are indicated by red and blue, respectively. In the AFM1 configuration, all the spins at the middle M layer are arranged in the spin-down direction, while the bottom M layer has spin-up electrons. To create the AFM2 and AFM3 configurations, we used 2 × 1 × 1 super-cell structures. Only the middle atoms get the opposite spin directions compared to the rest of the atoms in the same M layer in the 2 × 1 × 1 structure for the AFM2 configuration. In the AFM3 configuration, two consecutive layers in a-direction have M atoms with spin-up while the other two have M atoms with spin-down. All the spins point toward the center in the AFM4 non-colinear configuration, whereas spin directions lie on the ab-plane in the AFM5 non-colinear configuration. The formation energy (E form ) of the magnetic ground state of the materials was calculated based on the following formula.