Orb-relaxed Ti12 Fe46 B16 boride candidate. CIF SHA256 6a3d4cc39fdf3b42dede7b1bbe347431e18085bbec742d71679fa1e18051a16a. Unconstrained variable-cell ML relaxation; no DFT. AFLOW novelty, hull stability and magnetic performance remain under review. Derived from published source: . Coordinate source https://doi.org/10.1021/ic7020963; source SHA256 7766dd815fd67e540949eba9f04c0415dc9c6ca0a69c3743717e99538c0330cb. Terms: See CIF attribution. Published parent framework; the authored mutation is not an experimentally established material.