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  • RSvsZB_LASSO_L0

RSvsZB_LASSO_L0 · Changes

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Fixed typos and link to LASSO+L0 authored Aug 02, 2016 by Luca Massimiliano Ghiringhelli's avatar Luca Massimiliano Ghiringhelli
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analytics/RSvsZB_LASSO_L0.md
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......@@ -15,7 +15,7 @@ The tool is based on Compressed-sensing (LASSO performed on a tailor-made featur
By running the tutorial with the default setting, the results of the [Phys. Rev. Lett. 2015](http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.114.105503) can be recovered. In particular, by clicking on “View interactive 2D plot”, an interactive structure-map (a chart where different structures are located in different regions of a low-dimensional representation, here two-dimensional) will be opened in a new tab, similar to the figure below (an extended version of Fig. 2 in [PRL 2015](http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.114.105503)):
![2016-08-02_ZB_RS3-1](/uploads/122efe951bbcf55ffdd8e3e3785e728a/2016-08-02_ZB_RS3-1.png)
![2016-08-02_ZB_RS3-2](/uploads/eb33f1415db1b6d489cbbc3e6a899942/2016-08-02_ZB_RS3-2.png)
In this map the octet binaries are located via the descriptor found by our LASSO+L0 approach. The descriptor is based purely on free-atom data, namely radii of the s and p valence orbitals (rs and rp) of the atomic species and their Ionization Potential and Electron Affinity (IP and EA).
Materials in the red (blue) region crystallize preferably in the zincblende (rocksalt) structure. The distance to the green line is proportional to the difference in energy between the two structures.
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