000916502 001__ 916502
000916502 005__ 20230123101859.0
000916502 0247_ $$2doi$$a10.24435/materialscloud:w1-yf
000916502 037__ $$aFZJ-2022-06291
000916502 041__ $$aEnglish
000916502 1001_ $$0P:(DE-Juel1)179506$$aHilgers, Robin$$b0$$eCorresponding author$$ufzj
000916502 245__ $$aML-ready Curie temperatures and descriptors extracted from the JuHemd database
000916502 260__ $$bMaterials Cloud$$c2022
000916502 3367_ $$2BibTeX$$aMISC
000916502 3367_ $$0PUB:(DE-HGF)32$$2PUB:(DE-HGF)$$aDataset$$bdataset$$mdataset$$s1674462850_23242
000916502 3367_ $$026$$2EndNote$$aChart or Table
000916502 3367_ $$2DataCite$$aDataset
000916502 3367_ $$2ORCID$$aDATA_SET
000916502 3367_ $$2DINI$$aResearchData
000916502 500__ $$aMIT license  Materials Cloud Archive
000916502 520__ $$aThe JuHemd (Jülich-Heusler-magnetic-database) is a collection of the magnetic phase transition types and transition temperatures (Tc) for experimentally documented Heusler and Heusler-like materials, as found by density functional calculations augmented by the Monte Carlo method, and as reported by experiment in the literature.The uploaded archive provides a ML-ready data set extracted from the juHemd database (see references) augmented with supplemental data for atomic descriptors. Descriptors provided in this data set include structural, magnetic, atomic quantities as well as derived (summed) quantities. In total, 118 possible descriptors are included of which 12 are DFT generated. For each simulation type (LDA/GGA) there is also a data set cleaned from DFT data available. After data cleaning and preprocessing we extracted 387 LDA calculated magnetic Heusler structures as well as 408 GGA structures which have a full structural and magnetic data set. As we only aim at magnetic compounds, we chose to filter out compounds from the original JuHemd which have at least 0.1 Bohr magneton as total absolute magnetic moment. For each data file there is an existing descriptor file naming all the descriptors included in the data set.
000916502 536__ $$0G:(DE-HGF)POF4-5211$$a5211 - Topological Matter (POF4-521)$$cPOF4-521$$fPOF IV$$x0
000916502 536__ $$0G:(DE-Juel1)HDS-LEE-20190612$$aHDS LEE - Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) (HDS-LEE-20190612)$$cHDS-LEE-20190612$$x1
000916502 588__ $$aDataset connected to DataCite
000916502 650_7 $$2Other$$aMaX
000916502 650_7 $$2Other$$aHeusler alloy
000916502 650_7 $$2Other$$aDensity-functional theory
000916502 650_7 $$2Other$$aMachine learning
000916502 650_7 $$2Other$$aMagnetic
000916502 650_7 $$2Other$$aKKR
000916502 650_7 $$2Other$$aMonte Carlo
000916502 650_7 $$2Other$$aCritical temperature
000916502 650_7 $$2Other$$aCurie temperature
000916502 650_7 $$2Other$$aMagnetic phase transition
000916502 650_7 $$2Other$$aMagnetic structure
000916502 650_7 $$2Other$$aElectronic structure
000916502 650_7 $$2Other$$aJuDFT
000916502 65027 $$0V:(DE-MLZ)SciArea-120$$2V:(DE-HGF)$$aCondensed Matter Physics$$x0
000916502 65027 $$0V:(DE-MLZ)SciArea-170$$2V:(DE-HGF)$$aMagnetism$$x1
000916502 65027 $$0V:(DE-MLZ)SciArea-180$$2V:(DE-HGF)$$aMaterials Science$$x2
000916502 65017 $$0V:(DE-MLZ)GC-1604-2016$$2V:(DE-HGF)$$aMagnetic Materials$$x0
000916502 7001_ $$0P:(DE-Juel1)131042$$aWortmann, Daniel$$b1$$ufzj
000916502 7001_ $$0P:(DE-Juel1)130548$$aBlügel, Stefan$$b2$$ufzj
000916502 773__ $$a10.24435/materialscloud:w1-yf$$p174$$v2022$$y2022
000916502 8564_ $$uhttps://archive.materialscloud.org/record/2022.174
000916502 8564_ $$uhttps://juser.fz-juelich.de/record/916502/files/Dataset.tar.gz$$yRestricted
000916502 909CO $$ooai:juser.fz-juelich.de:916502$$pVDB
000916502 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)179506$$aForschungszentrum Jülich$$b0$$kFZJ
000916502 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)131042$$aForschungszentrum Jülich$$b1$$kFZJ
000916502 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)130548$$aForschungszentrum Jülich$$b2$$kFZJ
000916502 9131_ $$0G:(DE-HGF)POF4-521$$1G:(DE-HGF)POF4-520$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5211$$aDE-HGF$$bKey Technologies$$lNatural, Artificial and Cognitive Information Processing$$vQuantum Materials$$x0
000916502 9141_ $$y2022
000916502 920__ $$lyes
000916502 9201_ $$0I:(DE-Juel1)IAS-1-20090406$$kIAS-1$$lQuanten-Theorie der Materialien$$x0
000916502 9201_ $$0I:(DE-Juel1)PGI-1-20110106$$kPGI-1$$lQuanten-Theorie der Materialien$$x1
000916502 980__ $$adataset
000916502 980__ $$aVDB
000916502 980__ $$aI:(DE-Juel1)IAS-1-20090406
000916502 980__ $$aI:(DE-Juel1)PGI-1-20110106
000916502 980__ $$aUNRESTRICTED