Orb-relaxed Ti18 Fe40 B16 boride candidate. CIF SHA256 788bfc3a006552733e31106b42ac543fdbce92573fea343139319b76853da7a0. 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.