Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Inverse Design of Inorganic Electrides   Electrides are ionic solids that consist of cationic frameworks and anionic
electrons trapped in the voids of lattices. Organic electrides exist in a large
abundance, but the thermal instability at room temperature and sensitivity to
moisture are bottlenecks that limit their practical uses. Known inorganic
electrides are rare but appear to have high thermal and chemical stability and
exhibit promising applications as electron-emitting materials, superior
catalysts and strong reducing agents. Here, we report a developed
inverse-design method that can be used to search for a large variety of
inorganic electrides. Our method utilizes the intrinsic property of
interstitial electron localization of electrides as the global variable
function being incorporated into the swarm-intelligence based structure
searches. Through screening 99 binary ionic compounds, we have designed 89 new
inorganic electrides that are classified into three-, two-, and
zero-dimensional species according to the way that the interstitial electrons
are localized and the conductive properties of the systems. Our work reveals
the rich abundance of inorganic electrides by extending them into more general
forms and provides new structure types for electrides that are not thought of
as before.

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The categories of this paper are: nucl-ex
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The categories of this paper are: cmp-lg
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The categories of this paper are: alg-geom
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The categories of this paper are: econ
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The categories of this paper are: supr-con
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The categories of this paper are: physics
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The categories of this paper are: plasm-ph
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The categories of this paper are: hep-ph
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The categories of this paper are: dg-ga
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The categories of this paper are: atom-ph
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The categories of this paper are: math-ph
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The categories of this paper are: stat
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The categories of this paper are: gr-qc
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The categories of this paper are: q-alg
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The categories of this paper are: q-fin
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The categories of this paper are: nucl-th