Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Prediction of Ternary Fluorooxoborates with Coplanar Triangle Units
  [BOxF3-x]x- From First-Principles   Ten new ternary fluorooxoborate structures were obtained from
first-principles prediction. Coplanar aligned triangle structure units [BO2F]2-
and [BOF2]- like [BO3]3- in borates were found from the computational
simulation. We identified new covalent coordination patterns of the F atom
connected with the B atoms which are located in the bridging site, -B--F--B-.
Besides, one molecular crystal with [B4O4F4] molecular unit was attached.

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The categories of this paper are: hep-ex
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The categories of this paper are: econ
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The categories of this paper are: math-ph
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The categories of this paper are: cmp-lg
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The categories of this paper are: nlin
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The categories of this paper are: patt-sol
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The categories of this paper are: q-alg
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The categories of this paper are: mtrl-th
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The categories of this paper are: q-fin
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The categories of this paper are: hep-lat
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The categories of this paper are: math
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The categories of this paper are: adap-org
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The categories of this paper are: quant-ph
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The categories of this paper are: nucl-ex
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The categories of this paper are: chao-dyn
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The categories of this paper are: nucl-th