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@MISC{Hilgers:916502,
      author       = {Hilgers, Robin and Wortmann, Daniel and Blügel, Stefan},
      title        = {{ML}-ready {C}urie temperatures and descriptors extracted
                      from the {J}u{H}emd database},
      volume       = {2022},
      publisher    = {Materials Cloud},
      reportid     = {FZJ-2022-06291},
      pages        = {174},
      year         = {2022},
      note         = {MIT license Materials Cloud Archive},
      abstract     = {The JuHemd (Jülich-Heusler-magnetic-database) is a
                      collection of the magnetic phase transition types and
                      transition temperatures (Tc) for experimentally documented
                      Heusler and Heusler-like materials, as found by density
                      functional calculations augmented by the Monte Carlo method,
                      and as reported by experiment in the literature.The uploaded
                      archive provides a ML-ready data set extracted from the
                      juHemd database (see references) augmented with supplemental
                      data for atomic descriptors. Descriptors provided in this
                      data set include structural, magnetic, atomic quantities as
                      well as derived (summed) quantities. In total, 118 possible
                      descriptors are included of which 12 are DFT generated. For
                      each simulation type (LDA/GGA) there is also a data set
                      cleaned from DFT data available. After data cleaning and
                      preprocessing we extracted 387 LDA calculated magnetic
                      Heusler structures as well as 408 GGA structures which have
                      a full structural and magnetic data set. As we only aim at
                      magnetic compounds, we chose to filter out compounds from
                      the original JuHemd which have at least 0.1 Bohr magneton as
                      total absolute magnetic moment. For each data file there is
                      an existing descriptor file naming all the descriptors
                      included in the data set.},
      keywords     = {MaX (Other) / Heusler alloy (Other) / Density-functional
                      theory (Other) / Machine learning (Other) / Magnetic (Other)
                      / KKR (Other) / Monte Carlo (Other) / Critical temperature
                      (Other) / Curie temperature (Other) / Magnetic phase
                      transition (Other) / Magnetic structure (Other) / Electronic
                      structure (Other) / JuDFT (Other)},
      cin          = {IAS-1 / PGI-1},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
      pnm          = {5211 - Topological Matter (POF4-521) / HDS LEE - Helmholtz
                      School for Data Science in Life, Earth and Energy (HDS LEE)
                      (HDS-LEE-20190612)},
      pid          = {G:(DE-HGF)POF4-5211 / G:(DE-Juel1)HDS-LEE-20190612},
      typ          = {PUB:(DE-HGF)32},
      doi          = {10.24435/materialscloud:w1-yf},
      url          = {https://juser.fz-juelich.de/record/916502},
}