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MPDS

Materials Platform
for Data Science

μ_x^° ☰ ⏎

Formula		Property	J. code	Year	Ref.

Phase	Space group num.	Entries	Publications

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We present machine-learning predictions (random forest regression) for the less known phases. Our implementation is opened and freely available. Check out any other crystalline structure or run the materials design.

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physical properties
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periodic number
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1-phase areas blue
2-phase areas transparent
3-phase areas yellow
4-phase areas red
5-phase areas green

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Interactive plots and data analysis tools ✔✔
Data interlinking by phases, prototypes etc. ✔✔
Detailed visualizations of the phase diagrams and crystals ✔✘
Detailed data display and export in PDF, CIF and JSON formats ✔✘
Phase diagrams redrawn as high-quality vector and raster images ✔✘
Full references and links to the original publications (DOIs) ✔✘

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physics and chemistry
bibliography

Chemical formula

e.g. Ca3(PO4)2

Chemical elements

e.g. Co-Te-Pb

Polyhedron atoms

e.g. U or X-Se or UO6 or UX7

Physical property

e.g. crystal structure or EXAFS, see hierarchy

Materials class

e.g. hydride, nonmetal or machine learning

Crystal system

e.g. cubic

Space group

e.g. Fm-3m or 225

Prototype

e.g. Ca2Nb2O7 cF88 227 or D51

Polyhedral type

e.g. octahedron 6-vertex or all 6-vertex

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Used properties

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First axis

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Third axis

* numerical values (in SI units)

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