3800 ferromagnetic materials with calculated magnetocrystalline anisotropy
This dataset includes 3819 materials scraped from https://magmat.herokuapp.com/, the Magnetic Materials Database. See https://www.novomag.physics.iastate.edu/structure-database for citations and more resources.
I've cleaned the dataset to include the available magnetic materials (in CIF format) and their properties:
magnetic_ordering
total_magnetic_moment [μ_B/cell]
averaged_magnetic_moment [μ_B/atom]
magnetic_polarization [T]
formation_energy_(vs._elemental_phases) [meV/atom]
formation_energy_above_hull [meV/atom]
magnetic_curie_temperature [K]
magnetic_anisotropy_constant,_k_^a-c [MJ/m^3]
magnetic_easy_axis
magnetic_hardness_parameter,_κ
magnetic_anisotropy_constant,_k_^b-c [MJ/m^3]
magnetic_anisotropy_constant,_k_^b-a [MJ/m^3]
magnetic_anisotropy_constant,_k_^d-a [MJ/m^3]
We are collecting sources to build a dataset for magnetocrystalline anisotropy energy (MAE), which we plan to use as the next predictive model target after Curie temperature and magnetic moment. MAE is important for understanding how hard a magnet is to demagnetize, a key factor in permanent magnet design. The sources include open databases like Novamag and NovoMag, both aiming at rare-earth free or lean magnets and offering data such as MAE, saturation magnetization, Curie temperature, and crystal structures (CIF files). Other materials databases mentioned are NEMAD, MAGNDATA, and the North East Materials Database, which provide varying levels of magnetic property data and structural information. The goal is to gather existing datasets, bring them together, and create a more complete MAE resource, while noting useful tools and potential limitations in data availability and download access.
6mo