Experimental Fe2B, CuAl2 type (I4/mcm), a = 5.109 Å, c = 4.249 Å, Fe 8h x = 0.1661, B 4a. Twelve-atom conventional cell.
Fe8B4 relaxed with Prophet
-OAME-MBD, with ferromagnetic local moments from Prophet-Spin (Ms = 1.909 T) in the atomsite_moment loop.
Magnetic materials benchmark set
Checked CIFs for benchmarking magnetic models, each paired with its Materials Project ID and experimental reference values: magnetic order, ordering temperature, moment, saturation magnetization, and lattice parameters. Every CIF passed a relaxation check (checkrelaxactionid), and the step count and volume change are recorded. A null expected value means the value is not asserted. Rows with status donotuse flag known-bad files that circulate on Ouro. cifsource says whether the cell is an experimental structure or a Materials Project PBE cell.
/materials/structure/relax
/materials/thermo/ehull
/magnetism/curie-temperature